data_[K2Ta2Co2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7737]
_cell_length_b [3.6383]
_cell_length_c [9.7818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTaCoSe3]
_chemical_formula_sum '[K2 Ta2 Co2 Se6]'
_cell_volume [281.7912]
_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  0.2473  0.2500  0.2626  1.0
  Ta  Ta1  2  0.2929  0.7500  0.8224  1.0
  Co  Co2  2  0.0864  0.2500  0.6098  1.0
  Se  Se3  2  0.1021  0.2500  0.8583  1.0
  Se  Se4  2  0.2205  0.7500  0.5425  1.0
  Se  Se5  2  0.4651  0.7500  0.1338  1.0
]