data_[Pr10Cd8N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.1892]
_cell_length_b [10.1892]
_cell_length_c [5.2352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Pr5Cd4N]
_chemical_formula_sum '[Pr10 Cd8 N2]'
_cell_volume [543.5197]
_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
[
  Pr  Pr0  8  0.1396  0.8012  0.0000  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  8  0.0251  0.6499  0.5000  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
]