data_[Pr16Pb4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0788]
_cell_length_b [19.4090]
_cell_length_c [7.0283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr4PbN]
_chemical_formula_sum '[Pr16 Pb4 N4]'
_cell_volume [692.8122]
_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  8  0.0000  0.1826  0.0047  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Pr  Pr2  4  0.0000  0.4099  0.2500  1
  Pb  Pb3  4  0.0000  0.4052  0.7500  1
  N  N4  4  0.0000  0.0989  0.7500  1
]