data_image0
_chemical_formula_structural       TaS2Ta
_chemical_formula_sum              "Ta2 S2"
_cell_length_a       3.2155596404015174
_cell_length_b       3.2155093501206244
_cell_length_c       20.669568907999768
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00051745629561

_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
  Ta  Ta1       1.0  0.3333528414237179  0.6665745063389881  0.5663264658349754  1.0000
  S   S1        1.0  0.6666660728520186  0.33341341225992793  0.3583367066322022  1.0000
  S   S2        1.0  5.978527028787759e-07  0.9999199159194522  0.641663209282843  1.0000
  Ta  Ta2       1.0  0.3333138319632641  0.6667588243337991  0.43367345201528196  1.0000