data_[K6Nb2Cr4Se12]
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 [6.8258]
_cell_length_b [11.7278]
_cell_length_c [7.7584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Nb(CrSe3)2]
_chemical_formula_sum '[K6 Nb2 Cr4 Se12]'
_cell_volume [594.3162]
_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  0.1645  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Nb  Nb2  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr3  4  0.0000  0.3330  0.0000  1.0
  Se  Se4  8  0.2317  0.1699  0.1825  1.0
  Se  Se5  4  0.2193  0.5000  0.1809  1.0
]