data_[Pr6Cd4N2]
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 [Cmmm]
_cell_length_a [5.1221]
_cell_length_b [16.3212]
_cell_length_c [3.6583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr3Cd2N]
_chemical_formula_sum '[Pr6 Cd4 N2]'
_cell_volume [305.8355]
_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  4  0.0000  0.1099  0.0000  1.0
  Pr  Pr1  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd2  4  0.0000  0.2988  0.5000  1.0
  N  N3  2  0.0000  0.0000  0.5000  1.0
]