data_[Pr12Pd4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8083]
_cell_length_b [5.1464]
_cell_length_c [8.2854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3PdN]
_chemical_formula_sum '[Pr12 Pd4 N4]'
_cell_volume [480.7575]
_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
[
  Pr  Pr0  4  0.0945  0.0000  0.1986  1.0
  Pr  Pr1  4  0.1400  0.5000  0.9194  1.0
  Pr  Pr2  4  0.1641  0.0000  0.6362  1.0
  Pd  Pd3  4  0.0905  0.5000  0.4209  1.0
  N  N4  4  0.1287  0.0000  0.9186  1.0
]