data_image0
_chemical_formula_structural       TaS2
_chemical_formula_sum              "Ta1 S2"
_cell_length_a       3.3814948538127485
_cell_length_b       3.3814948538127485
_cell_length_c       18.058914858199124
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  0.5000000000498611  1.0000
  S   S1        1.0  0.6666666672304877  0.3333333326312367  0.5849151747456303  1.0000
  S   S2        1.0  0.33333333263123677  0.6666666652624734  0.4150848248003488  1.0000