data_[K4La4Cr4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  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 [13.7982]
_cell_length_b [3.7746]
_cell_length_c [7.9964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLaCrN3]
_chemical_formula_sum '[K4 La4 Cr4 N12]'
_cell_volume [401.7338]
_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  4  0.1297  0.5000  0.0680  1
  La  La1  4  0.1616  0.5000  0.6049  1
  Cr  Cr2  4  0.0110  0.0000  0.3316  1
  N  N3  4  0.0142  0.5000  0.3512  1
  N  N4  4  0.1170  0.0000  0.7915  1
  N  N5  4  0.1484  0.0000  0.3547  1
]