data_image0
_chemical_formula_structural       Ta2S2
_chemical_formula_sum              "Ta2 S2"
_cell_length_a       3.8576785000702167
_cell_length_b       3.8576785045204276
_cell_length_c       18.17559524
_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  0.0  0.0  0.5  1.0000
  Ta  Ta2       1.0  0.49999999999089906  0.4999999994141  0.4999999994498117  1.0000
  S   S1        1.0  2.2488901332582328e-20  0.4999999994141  0.40847134313715056  1.0000
  S   S2        1.0  0.49999999999089906  9.793939395118476e-24  0.591528656312661  1.0000