data_[K4Cr4Co2Se12]
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 [C2/m]
_cell_length_a [6.3110]
_cell_length_b [10.9347]
_cell_length_c [8.1123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cr2CoSe6]
_chemical_formula_sum '[K4 Cr4 Co2 Se12]'
_cell_volume [538.1320]
_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  4  0.0000  0.1696  0.0000  1.0
  Cr  Cr1  4  0.0000  0.3315  0.5000  1.0
  Co  Co2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2229  0.1584  0.6746  1.0
  Se  Se4  4  0.2391  0.5000  0.6728  1.0
]