data_[Pr16Si4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.5459]
_cell_length_b [6.2266]
_cell_length_c [7.9325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4SiBi]
_chemical_formula_sum '[Pr16 Si4 Bi4]'
_cell_volume [786.2167]
_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  0.0808  0.3938  0.4537  1
  Pr  Pr1  8  0.1704  0.1085  0.1396  1
  Si  Si2  4  0.2500  0.2500  0.5000  1
  Bi  Bi3  4  0.0000  0.1204  0.7500  1
]