data_[K2Cr2N2]
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 [P-1]
_cell_length_a [3.3224]
_cell_length_b [3.3219]
_cell_length_c [11.0587]
_cell_angle_alpha [86.6451]
_cell_angle_beta [84.3460]
_cell_angle_gamma [59.9937]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCrN]
_chemical_formula_sum '[K2 Cr2 N2]'
_cell_volume [105.1693]
_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  2  0.0959  0.0129  0.1873  1
  Cr  Cr1  2  0.3124  0.3305  0.5680  1
  N  N2  2  0.3684  0.3380  0.3860  1
]