data_[Pr8Cr8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [10.3059]
_cell_length_b [10.0292]
_cell_length_c [5.9855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrCrN3]
_chemical_formula_sum '[Pr8 Cr8 N24]'
_cell_volume [592.0296]
_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
[
  Pr  Pr0  4  0.0000  0.0960  0.2500  1.0
  Pr  Pr1  4  0.0000  0.3364  0.7500  1.0
  Cr  Cr2  8  0.2128  0.4130  0.2551  1.0
  N  N3  8  0.1168  0.1140  0.6628  1.0
  N  N4  8  0.1339  0.2722  0.1565  1.0
  N  N5  8  0.1570  0.4764  0.5061  1.0
]