data_[La8Nb4Cr4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3348]
_cell_length_b [14.3910]
_cell_length_c [10.4159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2NbCrN5]
_chemical_formula_sum '[La8 Nb4 Cr4 N20]'
_cell_volume [499.8654]
_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
[
  La  La0  4  0.0000  0.1186  0.6888  1.0
  La  La1  4  0.0000  0.1333  0.3184  1.0
  Nb  Nb2  4  0.0000  0.2075  0.0227  1.0
  Cr  Cr3  4  0.0000  0.4497  0.4427  1.0
  N  N4  4  0.0000  0.0378  0.0171  1.0
  N  N5  4  0.0000  0.2962  0.6556  1.0
  N  N6  4  0.0000  0.3239  0.3830  1.0
  N  N7  4  0.0000  0.3397  0.0055  1.0
  N  N8  4  0.0000  0.4991  0.7902  1.0
]