data_[K4Nb4Cr2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3446]
_cell_length_b [11.0414]
_cell_length_c [8.2834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Nb2CrSe6]
_chemical_formula_sum '[K4 Nb4 Cr2 Se12]'
_cell_volume [565.8749]
_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  0.1814  0.0000  1.0
  Nb  Nb1  4  0.0000  0.3651  0.5000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2121  0.1676  0.6777  1.0
  Se  Se4  4  0.2490  0.0000  0.2876  1.0
]