data_[Pr12Bi4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0295]
_cell_length_b [14.8853]
_cell_length_c [8.8535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pr6Bi2N]
_chemical_formula_sum '[Pr12 Bi4 N2]'
_cell_volume [531.0328]
_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  0.1063  0.8799  1
  Pr  Pr1  4  0.5000  0.1988  0.1903  1
  Pr  Pr2  2  0.0000  0.0000  0.2333  1
  Pr  Pr3  2  0.5000  0.0000  0.5737  1
  Bi  Bi4  4  0.0000  0.1725  0.4908  1
  N  N5  2  0.5000  0.0000  0.0709  1
]