data_image0
_chemical_formula_structural       Zr2Ba2Cu4S8
_chemical_formula_sum              "Zr2 Ba2 Cu4 S8"
_cell_length_a       8.68135241807378
_cell_length_b       5.994701298334506
_cell_length_c       6.876175469498802
_cell_angle_alpha    89.9999863062829
_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
  Zr  Zr1       1.0  0.5000000000000001  0.2382743995718261  0.4816894211362273  1.0000
  Zr  Zr2       1.0  7.199138118594175e-18  0.761724415276832  0.9816891095654606  1.0000
  Ba  Ba1       1.0  0.5000000000000006  0.749047241746975  0.9563851134729584  1.0000
  Ba  Ba2       1.0  7.979555991542528e-18  0.2509517344476219  0.4563857336830899  1.0000
  Cu  Cu1       1.0  0.744991933136916  0.6756171137156672  0.5128307673812442  1.0000
  Cu  Cu2       1.0  0.25500806686308625  0.6756171137156672  0.5128307673812442  1.0000
  Cu  Cu3       1.0  0.7550080653862908  0.32438124208070174  0.012831332153170338  1.0000
  Cu  Cu4       1.0  0.24499193461370747  0.32438124208070174  0.012831332153170338  1.0000
  S   S1        1.0  0.5000000000000001  0.24441448799933624  0.12286724753754676  1.0000
  S   S2        1.0  7.708572147231901e-18  0.7555844624741145  0.6228668856288574  1.0000
  S   S3        1.0  0.5000000000000006  0.8412232475232193  0.5195340193991846  1.0000
  S   S4        1.0  7.768316186974045e-18  0.15877530350972932  0.0195351001898288  1.0000
  S   S5        1.0  0.7906935999669988  0.6486817002741462  0.18546383708675312  1.0000
  S   S6        1.0  0.20930640003300058  0.6486817002741462  0.18546383708675312  1.0000
  S   S7        1.0  0.7093062974263554  0.351317133129071  0.6854644090687346  1.0000
  S   S8        1.0  0.2906937025736451  0.351317133129071  0.6854644090687346  1.0000