#*********************************************************************************
#
# Crystallographic Information File for Beryllium -10
#
# Reference :
# Littlefield, B.T.R. and Weller, M.T.
# Nature Commun., 3, art. no. 1114, (2012)
#
#
# 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_Beryllium_-10
_chemical_name_systematic 'Beryllium -10'

_cell_length_a 13.957
_cell_length_b 14.194
_cell_length_c 34.923
_cell_angle_alpha 90
_cell_angle_beta 89.97
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 1 21/m 1'
_symmetry_space_group_name_H-M 'P 1 21/m 1'
_symmetry_space_group_name_Hall '-P 2yb'
_space_group.IT_number 11

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
Be1 Be 0.62377 0.75 0.41709 2.25 0.546
BeN1 Be 0.4896 0.4152 0.24239 0.85 1
BeN2 Be -0.0094 0.415 0.25746 1.14 1
BeN3 Be 0.7843 0.25 -0.00828 1.06 1
BeN4 Be 0.7144 0.75 0.49179 0.79 1
Be2 Be 0.61772 0.35478 0.30594 2.27 0.587
Be3 Be 0.33971 0.35111 0.18873 2.41 0.581
Be4 Be -0.16022 0.35111 0.31131 2.38 0.584
Be5 Be 0.33607 0.75 0.07758 2.57 0.56
Be6 Be 0.118 0.35512 0.19402 2.36 0.574
Be7 Be 0.87579 0.25 -0.08295 2.26 0.602
Be8 Be -0.16367 0.75 0.42248 2.42 0.623
Be9 Be -0.02704 0.49683 0.1801 2.41 0.559
Be10 Be 0.47271 0.49688 0.31977 2.5 0.546
Be11 Be 0.4929 0.48188 0.16212 2.51 0.52
Be12 Be -0.00743 0.48213 0.33789 2.46 0.521
Be13 Be 0.75111 0.35245 0.06336 2.26 0.595
Be14 Be 0.25087 0.35292 0.43665 2.35 0.588
Be15 Be 0.62821 0.49126 0.1008 2.33 0.754
Be16 Be -0.02963 0.64709 0.12364 2.2 0.7723
Be17 Be 0.33236 0.49174 0.38092 2.72 0.75
Be18 Be -0.16777 0.49179 0.119 2.95 0.767
Be19 Be -0.00601 0.64452 0.38818 2.92 0.758
Be20 Be 0.47026 0.64657 0.37645 2.11 0.8066
Be21 Be 0.12789 0.49163 0.39921 2.47 0.773
Be22 Be 0.4943 0.64491 0.11178 2.71 0.8032
O1 O 0.3159 0.75 0.03188 9.4 1
O2 O 0.2346 0.7232 0.09929 2.77 0.5
O3 O 0.3962 0.6568 0.08823 7.51 1
O4 O 0.543 0.75 0.11848 3.24 1
O5 O 0.4842 0.5948 0.15301 4.71 1
O6 O 0.5679 0.5821 0.08417 4.06 1
O8 O 0.6581 0.4263 0.06282 4.11 1
O9 O 0.7934 0.3418 0.01955 5.24 1
O10 O 0.8359 0.3976 0.09088 5.72 1
O11 O 0.7194 0.25 0.07904 3.62 1
O12 O 0.5593 0.4298 0.1294 5.26 1
O13 O 0.3835 0.4334 0.1596 3.99 1
O14 O 0.3398 0.25 0.16782 2.91 1
O15 O 0.4005 0.3498 0.22923 3.23 1
O16 O 0.5368 0.4675 0.20498 4.46 1
O17 O 0.5704 0.3497 0.26217 3.24 1
O18 O 0.563 0.4323 0.33269 4.48 1
O19 O 0.6119 0.25 0.32711 3.31 1
O21 O 0.2299 0.3887 0.19919 5.32 1
O22 O 0.1105 0.25 0.17291 2.88 1
O23 O 0.0655 0.4326 0.16743 4.4 1
O24 O -0.0093 0.6074 0.16648 3.95 1
O25 O -0.0809 0.75 0.12586 2.95 1
O26 O -0.0973 0.5704 0.10003 4.69 1
O27 O -0.1265 0.4584 0.16049 6.42 1
O28 O 0.0694 0.3495 0.23774 3.51 1
O29 O -0.0988 0.3494 0.27105 3.24 1
O30 O 0.0365 0.4678 0.29472 4.74 1
O31 O 0.4592 0.4974 0.27221 4.31 1
O32 O 0.3714 0.4617 0.33876 6.24 1
O33 O 0.4023 0.5715 0.39975 4.67 1
O34 O 0.4903 0.6057 0.33368 3.77 1
O35 O 0.5683 0.655 0.40167 5.8 1
O36 O 0.4194 0.75 0.37391 2.73 1
O37 O 0.6264 0.75 0.46337 4.37 1
O38 O 0.7327 0.7282 0.40025 4.34 0.5
O41 O 0.3366 0.3967 0.40898 5.26 1
O42 O 0.2229 0.5286 0.37786 6.5 1
O43 O 0.1574 0.4249 0.43608 3.54 1
O44 O 0.0674 0.5822 0.41568 3.96 1
O45 O 0.0586 0.431 0.37049 5.34 1
O46 O -0.0158 0.5962 0.34722 4.29 1
O47 O -0.117 0.4346 0.34003 4.08 1
O48 O -0.1595 0.25 0.33212 3.02 1
O49 O 0.7302 0.3896 0.30128 5.72 1
O50 O -0.0418 0.4972 0.22809 4.15 1
O51 O 0.2189 0.25 0.42083 3.58 1
O52 O 0.2923 0.3422 0.48036 4.9 1
O53 O -0.2758 0.529 0.1222 6.51 1
O54 O 0.9307 0.3442 -0.09904 6.29 1
O55 O 0.8734 0.25 -0.03673 4.82 1
O56 O 0.0438 0.75 0.38169 3.34 1
O57 O -0.1047 0.6555 0.41117 7.84 1
O58 O -0.1851 0.735 0.4674 9.16 0.5
As1 As 0.62377 0.75 0.41709 2.25 0.454
As2 As 0.61772 0.35478 0.30594 2.27 0.413
As3 As 0.33971 0.35111 0.18873 2.41 0.419
As4 As -0.16022 0.35111 0.31131 2.38 0.416
As5 As 0.33607 0.75 0.07758 2.57 0.44
As6 As 0.118 0.35512 0.19402 2.36 0.426
As7 As 0.87579 0.25 -0.08295 2.26 0.398
As8 As -0.16367 0.75 0.42248 2.42 0.377
As9 As -0.02704 0.49683 0.1801 2.41 0.441
As10 As 0.47271 0.49688 0.31977 2.5 0.454
As11 As 0.4929 0.48188 0.16212 2.51 0.48
As12 As -0.00743 0.48213 0.33789 2.46 0.479
As13 As 0.75111 0.35245 0.06336 2.26 0.405
As14 As 0.25087 0.35292 0.43665 2.35 0.412
As15 As 0.62821 0.49126 0.1008 2.33 0.246
As16 As -0.02963 0.64709 0.12364 2.2 0.2277
As17 As 0.33236 0.49174 0.38092 2.72 0.25
As18 As -0.16777 0.49179 0.119 2.95 0.233
As19 As -0.00601 0.64452 0.38818 2.92 0.242
As20 As 0.47026 0.64657 0.37645 2.11 0.1934
As21 As 0.12789 0.49163 0.39921 2.47 0.227
As22 As 0.4943 0.64491 0.11178 2.71 0.1968
# End of data for Beryllium_-10