data_[Pr6Bi2S2N2]
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 [P2_1/m]
_cell_length_a [8.8245]
_cell_length_b [4.2772]
_cell_length_c [9.5802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3BiSN]
_chemical_formula_sum '[Pr6 Bi2 S2 N2]'
_cell_volume [352.4346]
_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  2  0.1080  0.7500  0.8438  1
  Pr  Pr1  2  0.1653  0.2500  0.5201  1
  Pr  Pr2  2  0.4304  0.2500  0.1505  1
  Bi  Bi3  2  0.1886  0.7500  0.2235  1
  S  S4  2  0.3418  0.2500  0.8482  1
  N  N5  2  0.0936  0.7500  0.6030  1
]