data_image0
_chemical_formula_structural       MoHfMoHfS8
_chemical_formula_sum              "Mo2 Hf2 S8"
_cell_length_a       6.777494807932727
_cell_length_b       6.6709324833247114
_cell_length_c       33.19
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.47141529363148

_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  0.49887160602996533  0.9994367326954154  0.5  1.0000
  Hf  Hf1       1.0  0.9955144311838182  0.9977583485925067  0.5  1.0000
  Mo  Mo2       1.0  0.4988716059217358  0.49943673183416964  0.5  1.0000
  Hf  Hf2       1.0  0.995514431209323  0.4977583486141201  0.5  1.0000
  S   S1        1.0  0.34964030480074837  0.1748191372486696  0.5463362600894626  1.0000
  S   S2        1.0  0.8198342885014409  0.15991662967479617  0.5477586918879592  1.0000
  S   S3        1.0  0.34964030542010527  0.6748191377281524  0.5463362601037627  1.0000
  S   S4        1.0  0.8198342883004597  0.6599166291812512  0.547758691874512  1.0000
  S   S5        1.0  0.34964030480074837  0.1748191372486696  0.4536637399105378  1.0000
  S   S6        1.0  0.8198342885014409  0.15991662967479617  0.45224130811204066  1.0000
  S   S7        1.0  0.34964030542010527  0.6748191377281524  0.453663739896237  1.0000
  S   S8        1.0  0.8198342883004597  0.6599166291812512  0.45224130812548885  1.0000