#*********************************************************************************
#
# Crystallographic Information File for Tounkite-like mineral
#
# Reference :
# Rozenberg, K.A., Sapozhnikov, A.N., Rastsvetaeva, R.K., Bolotina, N.B. and Kashaev, A.A.
# Crystallogr. Reports, 4, 635-642, (2004)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_Tounkite-like_mineral
_chemical_name_systematic 'Tounkite-like mineral'

_cell_length_a 12.757
_cell_length_b 12.757
_cell_length_c 32.211
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 3'
_symmetry_space_group_name_H-M 'P 3'
_symmetry_space_group_name_Hall 'P 3'
_space_group.IT_number 143

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Si1 Si 0.257 0.0019 0 0.4 1
Si2 Si 0.9245 0.5856 0.084 0.5 1
Si3 Si 0.0036 0.2553 0.1659 0.4 1
Si4 Si 0.9249 0.5854 0.2477 0.5 1
Si5 Si 0.0003 0.2543 0.3318 0.7 1
Si6 Si 0.3409 0.4152 0.4156 0.7 1
Si7 Si 0.2552 0.0039 0.4975 0.5 1
Si8 Si 0.339 0.414 0.5803 0.6 1
Si9 Si 0.2532 -0.0024 0.6642 0.7 1
Si10 Si 0.9249 0.5866 0.7477 0.9 1
Si11 Si 0.2534 0.0001 0.8319 0.7 1
Si12 Si 0.587 0.9236 0.9165 0.8 1
Al1 Al 0.7405 -0.0005 -0.0014 0.86 1
Al2 Al 0.4026 0.0779 0.0838 0.53 1
Al3 Al 0.2627 0.2601 0.165 0.71 1
Al4 Al 0.4025 0.078 0.2476 0.43 1
Al5 Al 0.2597 0.2599 0.3319 0.65 1
Al6 Al 0.0772 0.402 0.4154 0.75 1
Al7 Al 0.0033 0.7405 0.4982 0.7 1
Al8 Al 0.0773 0.4021 0.5805 0.69 1
Al9 Al 0.7423 0.0005 0.6661 1.05 1
Al10 Al 0.402 0.0767 0.7483 0.74 1
Al11 Al 0.7399 0.0005 0.8319 0.58 1
Al12 Al 0.0786 0.403 0.916 0.37 1
O1 O 0.1205 0.8817 0.002 1.6 1
O2 O 0.8903 0.1134 -0.0017 1.8 1
O3 O 0.3495 0.3463 0.0398 1.8 1
O4 O 0.673 0.6657 0.0367 1.6 1
O5 O 0.5501 0.453 0.0857 1.7 1
O6 O 0.7777 0.2118 0.0855 1.4 1
O7 O 0.3336 0.3455 0.1206 1.4 1
O8 O 0.6633 0.6756 0.1237 2 1
O9 O 0.8841 0.1239 0.1659 0.8 1
O10 O 0.1154 0.8833 0.167 1.3 1
O11 O 0.3407 0.3454 0.2076 1.4 1
O12 O 0.6638 0.671 0.2031 1.3 1
O13 O 0.5479 0.4521 0.2483 1.3 1
O14 O 0.7733 0.2039 0.2473 1.4 1
O15 O 0.3407 0.3418 0.2865 1.9 1
O16 O 0.6728 0.6744 0.2912 1.3 1
O17 O 0.8852 0.1194 0.3324 1.9 1
O18 O 0.1178 0.8872 0.3291 1.5 1
O19 O 0.3434 0.3482 0.3734 1.8 1
O20 O 0.665 0.6695 0.3704 1.4 1
O21 O 0.4511 0.5474 0.4131 2 1
O22 O 0.2091 0.7696 0.4181 0.9 1
O23 O 0.348 0.3384 0.4535 0.9 1
O24 O 0.6744 0.6603 0.4574 2 1
O25 O 0.1266 0.8875 0.4979 1.7 1
O26 O 0.8853 0.1151 0.4978 1.5 1
O27 O 0.3449 0.3354 0.5401 1.4 1
O28 O 0.6734 0.6631 0.5369 1.4 1
O29 O 0.4564 0.5476 0.582 1.9 1
O30 O 0.2153 0.7763 0.5774 1.5 1
O31 O 0.3441 0.3476 0.6216 1.4 1
O32 O 0.6681 0.6743 0.6235 1.4 1
O33 O 0.1163 0.8878 0.6648 1.5 1
O34 O 0.8844 0.1209 0.6643 2 1
O35 O 0.3443 0.3451 0.7047 2.2 1
O36 O 0.6705 0.6772 0.7042 1.2 1
O37 O 0.5465 0.4578 0.7489 2.6 1
O38 O 0.7739 0.2146 0.7474 1.9 1
O39 O 0.3432 0.3412 0.7883 1.7 1
O40 O 0.6707 0.6664 0.7902 2.3 1
O41 O 0.1213 0.8869 0.8329 1.8 1
O42 O 0.8882 0.1196 0.8349 1.3 1
O43 O 0.342 0.3416 0.8734 1.4 1
O44 O 0.669 0.6695 0.8698 1.8 1
O45 O 0.4577 0.5481 0.9196 2 1
O46 O 0.2108 0.7774 0.9174 1.7 1
O47 O 0.3432 0.3436 0.9555 1.8 1
O48 O 0.6761 0.6704 0.9564 1 1
Ca1 Ca 0 0 0.001 1.21 1
Ca2 Ca 0 0 0.1667 0.81 1
Ca3 Ca 0 0 0.3314 1.21 1
Ca4 Ca 0 0 0.4988 0.67 1
Ca5 Ca 0 0 0.666 1.08 1
Ca6 Ca 0 0 0.8331 1.15 1
Ca7 Ca 0.6667 0.3333 0.0864 1.6 1
Ca8 Ca 0.6667 0.3333 0.2497 1.92 1
Ca9 Ca 0.6667 0.3333 0.7489 3.17 1
Ca10 Ca 0.3333 0.6667 0.4163 1.19 1
Ca11 Ca 0.3333 0.6667 0.9255 1.85 1
Ca12 Ca 0.3333 0.6667 0.5778 1.63 1
Cl1 Cl 0 0 0.0844 5.5 1
Cl2 Cl 0 0 0.2498 6.5 1
Cl3 Cl 0.3333 0.6667 0.4976 5.4 1
Cl4 Cl 0 0 0.4162 4.9 1
Cl5 Cl 0 0 0.5805 5.3 1
Cl6 Cl 0.6667 0.3333 0.1711 5.8 1
Cl7 Cl 0 0 0.7481 4.5 1
Cl8 Cl 0 0 0.9171 4.9 1
Na1 Na 0.5056 0.5036 -0.0009 2.8 1
Na2 Na 0.2181 0.4271 0.0827 3.84 0.86
Na3 Na 0.169 0.334 0.0767 3.2 0.14
Na4 Na 0.4783 0.5307 0.1629 3.4 1
Na5 Na 0.2208 0.4395 0.2458 3.6 1
Na6 Na 0.5049 0.4996 0.3319 3.79 0.65
Ca13 Ca 0.5049 0.4996 0.3319 3.79 0.35
Na7 Na 0.4326 0.218 0.4153 2.87 1
Na8 Na 0.526 0.4818 0.4964 3.87 0.65
Ca14 Ca 0.526 0.4818 0.4964 3.87 0.35
Na9 Na 0.4415 0.2245 0.5789 3.53 1
Na10 Na 0.4987 0.5099 0.6652 3.52 0.65
Ca15 Ca 0.4987 0.5099 0.6652 3.52 0.35
Na11 Na 0.2265 0.446 0.7509 3.63 0.48
K K 0.2265 0.446 0.7509 3.63 0.32
Na12 Na 0.213 0.411 0.7398 4.5 0.2
Na13 Na 0.504 0.5075 0.8328 2.92 1
Na14 Na 0.4413 0.2238 0.9156 3.65 0.49
Ca16 Ca 0.4413 0.2238 0.9156 3.65 0.26
Na15 Na 0.36 0.186 0.9129 6.6 0.25
S1 S 0.3333 0.6667 0.0213 5.24 1
S2 S 0.3333 0.6667 0.1713 4 1
S3 S 0.6667 0.3333 0.4991 2.59 1
S4 S 0.6667 0.3333 0.6382 3.39 1
S5 S 0.6667 0.3333 0.8492 3.02 1
S6 S 0.3333 0.6667 0.3068 3.3 1
S7 S 0.3333 0.6667 0.6846 3.07 1
S8 S 0.3333 0.6667 0.8141 2.99 1
S9 S 0.6667 0.3333 0.3575 2.44 1
S10 S 0.6667 0.3333 0.9786 2.63 1
O49 O 0.22 0.614 0.051 5.6 0.7
O50 O 0.237 0.615 0.9951 3.6 0.3
O51 O 0.3333 0.6667 0.062 6.8 0.3
O52 O 0.235 0.618 0.2023 7.4 0.5
O53 O 0.3333 0.6667 0.129 7.9 0.5
O54 O 0.272 0.559 0.155 8.9 0.5
O55 O 0.3333 0.6667 0.215 6.8 0.5
O56 O 0.558 0.28 0.4774 4.6 0.5
O57 O 0.6667 0.3333 0.5443 6.6 0.5
O58 O 0.5705 0.253 0.5239 5.4 0.5
O59 O 0.6667 0.3333 0.4544 6.2 0.5
O60 O 0.6 0.39 0.6313 8.3 1
O61 O 0.6667 0.3333 0.681 6.4 1
O62 O 0.627 0.407 0.8701 4.7 1
O63 O 0.6667 0.3333 0.805 6.7 1
O64 O 0.212 0.603 0.2885 7.6 1
O65 O 0.3333 0.6667 0.3471 7.5 1
O66 O 0.211 0.597 0.6969 5.8 1
O67 O 0.3333 0.6667 0.647 7.2 1
O68 O 0.2075 0.592 0.8019 7.6 1
O69 O 0.3333 0.6667 0.8553 8.7 1
O70 O 0.609 0.399 0.3669 5.7 1
O71 O 0.6667 0.3333 0.3166 5.8 1
O72 O 0.61 0.396 0.9634 6.9 1
O73 O 0.6667 0.3333 0.0214 5 1
# End of data for Tounkite-like_mineral