data_[Ta9Co2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [10.3279]
_cell_length_b [10.3279]
_cell_length_c [3.3277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ta9(CoS3)2]
_chemical_formula_sum '[Ta9 Co2 S6]'
_cell_volume [307.3956]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Ta0  6  0.2017  0.4629  0.5000  1.0
  Ta  Ta1  3  0.0000  0.5417  0.0000  1.0
  Co  Co2  2  0.3333  0.6667  0.0000  1.0
  S  S3  3  0.0000  0.2955  0.0000  1.0
  S  S4  3  0.0000  0.7235  0.5000  1.0
]