data_image0
_chemical_formula_structural       Mo3S6
_chemical_formula_sum              "Mo3 S6"
_cell_length_a       3.19064
_cell_length_b       3.19064
_cell_length_c       21.3182
_cell_angle_alpha    90
_cell_angle_beta     90
_cell_angle_gamma    120

_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  0.66667  0.33333  0.33311  1.0000
  Mo  Mo2       1.0  0.33333  0.66667  0.66644  1.0000
  Mo  Mo3       1.0  0.00000  0.00000  0.99978  1.0000
  S   S1        1.0  0.33333  0.66667  0.07320  1.0000
  S   S2        1.0  0.00000  0.00000  0.25969  1.0000
  S   S3        1.0  0.00000  0.00000  0.40653  1.0000
  S   S4        1.0  0.66667  0.33333  0.59302  1.0000
  S   S5        1.0  0.66667  0.33333  0.73987  1.0000
  S   S6        1.0  0.33333  0.66667  0.92635  1.0000
