data_image0
_chemical_formula_structural       TaSTa2STa
_chemical_formula_sum              "Ta4 S2"
_cell_length_a       3.335475196287442
_cell_length_b       3.3354751962874367
_cell_length_c       37.206856
_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  0.500000000556526  0.5000000005565268  0.43403608248974324  1.0000
  S   S1        1.0  0.0  0.0  0.40672842580410445  1.0000
  Ta  Ta2       1.0  0.0  0.0  0.47938244338624036  1.0000
  Ta  Ta3       1.0  0.0  0.0  0.5659639175102567  1.0000
  S   S2        1.0  0.500000000556526  0.5000000005565268  0.5932715741958954  1.0000
  Ta  Ta4       1.0  0.500000000556526  0.5000000005565268  0.5206175566137595  1.0000