data_image0
_chemical_formula_structural       MoZrMoZrS8
_chemical_formula_sum              "Mo2 Zr2 S8"
_cell_length_a       6.803113668198042
_cell_length_b       6.6992094746121165
_cell_length_c       33.19
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.4959096357208

_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
  Mo  Mo1       1.0  0.5012091413204093  0.00060431643817771  0.5  1.0000
  Zr  Zr1       1.0  0.992570263223534  0.9962852311571035  0.5  1.0000
  Mo  Mo2       1.0  0.5012091240009126  0.5006042835915203  0.5  1.0000
  Zr  Zr2       1.0  0.9925702589588278  0.4962852298728758  0.5  1.0000
  S   S1        1.0  0.35174893652749883  0.175874299025027  0.5461370696653695  1.0000
  S   S2        1.0  0.8180286081826496  0.15901408440880216  0.5480682805357878  1.0000
  S   S3        1.0  0.35174894517319233  0.675874320310963  0.5461370674577117  1.0000
  S   S4        1.0  0.8180285858927518  0.659014073006279  0.5480682792412249  1.0000
  S   S5        1.0  0.35174893652749883  0.175874299025027  0.4538629303346308  1.0000
  S   S6        1.0  0.8180286081826496  0.15901408440880216  0.45193171946421223  1.0000
  S   S7        1.0  0.35174894517319233  0.675874320310963  0.4538629325422886  1.0000
  S   S8        1.0  0.8180285858927518  0.659014073006279  0.45193172075877514  1.0000