data_image0
_chemical_formula_structural       TiMoTiMoS8
_chemical_formula_sum              "Ti2 Mo2 S8"
_cell_length_a       6.59716290900242
_cell_length_b       6.598835639787068
_cell_length_c       33.19
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00730536171382

_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
  Ti  Ti1       1.0  0.5000000000000001  4.440892098500626e-16  0.5  1.0000
  Mo  Mo1       1.0  0.9999999999999998  2.220446049250313e-16  0.5  1.0000
  Ti  Ti2       1.0  0.4999999999999999  0.5000000000000001  0.5  1.0000
  Mo  Mo2       1.0  0.9999999999999999  0.4999999999999999  0.5  1.0000
  S   S1        1.0  0.33453284761213586  0.16726644038924607  0.5450983206343052  1.0000
  S   S2        1.0  0.8324611345879458  0.16623059082312808  0.5456101848540595  1.0000
  S   S3        1.0  0.334532846732864  0.6672664403554625  0.5450983204977943  1.0000
  S   S4        1.0  0.8324611345764077  0.6662305915379895  0.5456101848330369  1.0000
  S   S5        1.0  0.16753886542359167  0.33376940846200975  0.4543898151669629  1.0000
  S   S6        1.0  0.6654671532671356  0.3327335596445367  0.4549016795022056  1.0000
  S   S7        1.0  0.16753886541205382  0.8337694091768721  0.45438981514594035  1.0000
  S   S8        1.0  0.6654671523878637  0.8327335596107535  0.45490167936569437  1.0000