data_[Pr8Br12N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3846]
_cell_length_b [4.0959]
_cell_length_c [11.8432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Br3N]
_chemical_formula_sum '[Pr8 Br12 N4]'
_cell_volume [744.4758]
_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  0.0786  0.5000  0.4576  1
  Pr  Pr1  4  0.1365  0.0000  0.7863  1
  Br  Br2  4  0.0403  0.0000  0.2462  1
  Br  Br3  4  0.1664  0.5000  0.0093  1
  Br  Br4  4  0.2194  0.0000  0.6199  1
  N  N5  4  0.0742  0.5000  0.6528  1
]