data_image0
_chemical_formula_structural       TaSTaS
_chemical_formula_sum              "Ta2 S2"
_cell_length_a       3.8835003917218285
_cell_length_b       3.8828279769082834
_cell_length_c       17.73773876
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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  3.116516584487228e-18  0.9998581214508404  0.49993550587166274  1.0000
  S   S1        1.0  2.1949993789965696e-18  0.49997353515150483  0.594380850493482  1.0000
  Ta  Ta2       1.0  0.5000000010658132  0.49995431719993866  0.49994269055296425  1.0000
  S   S2        1.0  1.0182659299345468e-18  0.499919492067122  0.40556320832859083  1.0000