data_image0
_chemical_formula_structural       Si2Be2Cu4S8
_chemical_formula_sum              "Si2 Be2 Cu4 S8"
_cell_length_a       6.996853202703999
_cell_length_b       6.295179135214602
_cell_length_c       5.949568475510044
_cell_angle_alpha    89.99999932973485
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Si  Si1       1.0  0.499999999999999  0.1580387498314395  0.4995480203512821  1.0000
  Si  Si2       1.0  2.7699679619030513e-19  0.8419612582072169  0.9995480180838925  1.0000
  Be  Be1       1.0  0.49999999999999906  0.8453972174538162  0.0011080303445456519  1.0000
  Be  Be2       1.0  1.6059353311596959e-18  0.15460278941463537  0.5011080325658819  1.0000
  Cu  Cu1       1.0  0.7493719558200879  0.670930787460113  0.4863617862377038  1.0000
  Cu  Cu2       1.0  0.2506280441799104  0.670930787460113  0.48636178623770343  1.0000
  Cu  Cu3       1.0  0.7506280443451151  0.32906921789689914  0.9863617917198145  1.0000
  Cu  Cu4       1.0  0.2493719556548833  0.3290692178968991  0.9863617917198145  1.0000
  S   S1        1.0  0.499999999999999  0.1504718070064565  0.13696227755010693  1.0000
  S   S2        1.0  0.0  0.849528196037428  0.6369622751410171  1.0000
  S   S3        1.0  0.49999999999999906  0.847185840779894  0.644230645923541  1.0000
  S   S4        1.0  1.9144477799775004e-18  0.15281415916662963  0.14423064721079437  1.0000
  S   S5        1.0  0.7469897911164564  0.6714265349108536  0.10927942469847787  1.0000
  S   S6        1.0  0.25301020888354264  0.6714265349108536  0.10927942469847787  1.0000
  S   S7        1.0  0.7530102078721794  0.328573468538785  0.609279428096593  1.0000
  S   S8        1.0  0.24698979212781816  0.328573468538785  0.609279428096593  1.0000