data_[K6Cr4N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9948]
_cell_length_b [3.4487]
_cell_length_c [7.9962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(CrN2)2]
_chemical_formula_sum '[K6 Cr4 N8]'
_cell_volume [312.2702]
_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  0.1286  0.5000  0.7437  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Cr  Cr2  4  0.1924  0.5000  0.3731  1
  N  N3  4  0.1456  0.0000  0.4228  1
  N  N4  4  0.1858  0.5000  0.1632  1
]