data_[K2Ta2Co2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/m]
_cell_length_a [8.4734]
_cell_length_b [3.5148]
_cell_length_c [9.2032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTaCoS3]
_chemical_formula_sum '[K2 Ta2 Co2 S6]'
_cell_volume [249.4053]
_cell_formula_units_Z [2]
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
[
  K  K0  2  0.2347  0.2500  0.2559  1.0
  Ta  Ta1  2  0.3006  0.7500  0.8283  1.0
  Co  Co2  2  0.0861  0.2500  0.6081  1.0
  S  S3  2  0.1130  0.2500  0.8606  1.0
  S  S4  2  0.2122  0.7500  0.5432  1.0
  S  S5  2  0.4686  0.7500  0.1391  1.0
]