data_[K4Cr4N4]
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 [Cm]
_cell_length_a [10.7386]
_cell_length_b [3.4378]
_cell_length_c [6.4219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KCrN]
_chemical_formula_sum '[K4 Cr4 N4]'
_cell_volume [230.3874]
_cell_formula_units_Z [4]
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  0.0296  0.0000  0.4542  1
  K  K1  2  0.3168  0.5000  0.7644  1
  Cr  Cr2  2  0.0686  0.5000  0.0212  1
  Cr  Cr3  2  0.2647  0.0000  0.1614  1
  N  N4  2  0.1037  0.0000  0.9341  1
  N  N5  2  0.4296  0.0000  0.1125  1
]