data_image0
_chemical_formula_structural       MoTiMoTiS8
_chemical_formula_sum              "Mo2 Ti2 S8"
_cell_length_a       6.560552650737467
_cell_length_b       6.470714976942964
_cell_length_c       33.19
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.54798854412424

_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  0.50060589560973  0.000302731498785791  0.5  1.0000
  Ti  Ti1       1.0  0.9947107453017079  0.997355236704452  0.5  1.0000
  Mo  Mo2       1.0  0.5006058949035034  0.5003027318382823  0.5  1.0000
  Ti  Ti2       1.0  0.9947107587327867  0.49735525623614574  0.5  1.0000
  S   S1        1.0  0.33751039433656566  0.1687550289636489  0.5461692414742261  1.0000
  S   S2        1.0  0.8314974230062788  0.16574856115530268  0.546351077826294  1.0000
  S   S3        1.0  0.33751039563471985  0.668755029796449  0.546169241658431  1.0000
  S   S4        1.0  0.8314974221994601  0.6657485594834308  0.5463510782681431  1.0000
  S   S5        1.0  0.33751039433656566  0.1687550289636489  0.4538307585257738  1.0000
  S   S6        1.0  0.8314974230062788  0.16574856115530268  0.4536489221737061  1.0000
  S   S7        1.0  0.33751039563471985  0.668755029796449  0.45383075834156916  1.0000
  S   S8        1.0  0.8314974221994601  0.6657485594834308  0.4536489217318566  1.0000