data_[K2Cr2Co2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  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 [8.6088]
_cell_length_b [3.7129]
_cell_length_c [9.5226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCrCoSe3]
_chemical_formula_sum '[K2 Cr2 Co2 Se6]'
_cell_volume [276.0956]
_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  0.2318  0.2500  0.2524  1.0
  Cr  Cr1  2  0.3154  0.7500  0.8399  1.0
  Co  Co2  2  0.0786  0.2500  0.5984  1.0
  Se  Se3  2  0.1225  0.2500  0.8580  1.0
  Se  Se4  2  0.2260  0.7500  0.5514  1.0
  Se  Se5  2  0.4723  0.7500  0.1351  1.0
]