data_image0
_chemical_formula_structural       Ge2Ca2Cu4S8
_chemical_formula_sum              "Ge2 Ca2 Cu4 S8"
_cell_length_a       8.18912667461041
_cell_length_b       6.399306813769275
_cell_length_c       6.208990027531113
_cell_angle_alpha    90.00000009630101
_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
  Ge  Ge1       1.0  0.5  0.19087103108330764  0.49235128400094125  1.0000
  Ge  Ge2       1.0  0.0  0.8091289843198214  0.992351293173242  1.0000
  Ca  Ca1       1.0  0.5000000000000002  0.8136637015637904  0.011522467158932903  1.0000
  Ca  Ca2       1.0  0.0  0.18633631390007346  0.511522474814844  1.0000
  Cu  Cu1       1.0  0.7478786618897413  0.6847893905951654  0.49639756563357673  1.0000
  Cu  Cu2       1.0  0.2521213381102591  0.6847893905951654  0.49639756563357673  1.0000
  Cu  Cu3       1.0  0.7521213386106292  0.31521063052250897  0.9963975506200622  1.0000
  Cu  Cu4       1.0  0.24787866138937173  0.31521063052250897  0.9963975506200622  1.0000
  S   S1        1.0  0.5  0.22645148171050014  0.131785333249558  1.0000
  S   S2        1.0  0.0  0.7735485385841695  0.6317853447721927  1.0000
  S   S3        1.0  0.5000000000000002  0.8456051624057096  0.5656383210073139  1.0000
  S   S4        1.0  0.0  0.1543948514052189  0.06563832985077489  1.0000
  S   S5        1.0  0.7855436714783528  0.6451264330870717  0.1348575728831749  1.0000
  S   S6        1.0  0.21445632852164653  0.6451264330870717  0.1348575728831749  1.0000
  S   S7        1.0  0.7144563295098024  0.35487358028247196  0.6348575690779765  1.0000
  S   S8        1.0  0.2855436704901973  0.35487358028247196  0.6348575690779765  1.0000