data_image0
_chemical_formula_structural       MoCrMoCrS8
_chemical_formula_sum              "Mo2 Cr2 S8"
_cell_length_a       6.24232658668384
_cell_length_b       6.247411143254554
_cell_length_c       33.19
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.04686679508154

_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  0.4985868137293884  0.9992910901492099  0.5  1.0000
  Cr  Cr1       1.0  0.0015386342227743377  0.0007681427730088508  0.5  1.0000
  Mo  Mo2       1.0  0.49858681373207847  0.4992910899896305  0.5  1.0000
  Cr  Cr2       1.0  0.0015386345725032502  0.5007681429459852  0.5  1.0000
  S   S1        1.0  0.3226553847822547  0.16132836887494206  0.5465897507683422  1.0000
  S   S2        1.0  0.8439493582527956  0.17197524923964452  0.5449290832551497  1.0000
  S   S3        1.0  0.3226553856493278  0.6613283693058513  0.5465897507637761  1.0000
  S   S4        1.0  0.843949358255943  0.6719752486871401  0.5449290832549224  1.0000
  S   S5        1.0  0.3226553847822547  0.16132836887494206  0.4534102492316582  1.0000
  S   S6        1.0  0.8439493582527956  0.17197524923964452  0.45507091674485006  1.0000
  S   S7        1.0  0.3226553856493278  0.6613283693058513  0.4534102492362241  1.0000
  S   S8        1.0  0.843949358255943  0.6719752486871401  0.455070916745078  1.0000