data_image0
_chemical_formula_structural       Ta2S6
_chemical_formula_sum              "Ta2 S6"
_cell_length_a       4.982302528517647
_cell_length_b       3.3639007132754264
_cell_length_c       20.873180815741538
_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  0.6316373006229932  0.2499999975270208  0.5714705288713915  1.0000
  Ta  Ta2       1.0  0.1315827885295139  0.7499999985265411  0.4285295340925848  1.0000
  S   S1        1.0  0.13161339486044768  0.2499999975270208  0.5194393962142667  1.0000
  S   S2        1.0  0.6316063510772525  0.7499999985265411  0.48056066866604424  1.0000
  S   S3        1.0  0.37817996984631047  0.2499999975270208  0.3623043371663207  1.0000
  S   S4        1.0  0.3850398864821171  0.7499999985265411  0.6376957018434722  1.0000
  S   S5        1.0  0.8849724024746222  0.2499999975270208  0.3623056809960057  1.0000
  S   S6        1.0  0.8782474458253888  0.7499999985265411  0.6376944140665762  1.0000