data_[La8Cr8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [10.2419]
_cell_length_b [10.1987]
_cell_length_c [6.0121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaCrN3]
_chemical_formula_sum '[La8 Cr8 N24]'
_cell_volume [601.2940]
_cell_formula_units_Z [8]
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  0.0967  0.2500  1.0
  La  La1  4  0.0000  0.3345  0.7500  1.0
  Cr  Cr2  8  0.2134  0.4135  0.2568  1.0
  N  N3  8  0.1159  0.1142  0.6607  1.0
  N  N4  8  0.1318  0.2760  0.1569  1.0
  N  N5  8  0.1612  0.4788  0.5089  1.0
]