data_[Pr4Y6Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5463]
_cell_length_b [4.3705]
_cell_length_c [8.9182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Y3Bi2]
_chemical_formula_sum '[Pr4 Y6 Bi4]'
_cell_volume [458.2269]
_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  0.1321  0.0000  0.7889  1.0
  Y  Y1  4  0.1238  0.5000  0.4481  1.0
  Y  Y2  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi3  4  0.1685  0.0000  0.2026  1.0
]