data_[Pr8Bi4S2N4]
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
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2745]
_cell_length_b [4.2523]
_cell_length_c [8.1526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4Bi2SN2]
_chemical_formula_sum '[Pr8 Bi4 S2 N4]'
_cell_volume [497.8936]
_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  0.0294  0.5000  0.7857  1.0
  Pr  Pr1  4  0.2110  0.0000  0.1399  1.0
  Bi  Bi2  4  0.1106  0.0000  0.5336  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.1741  0.5000  0.9907  1.0
]