data_[Pr4Y12Bi8]
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 [18.8476]
_cell_length_b [4.4541]
_cell_length_c [9.9132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrY3Bi2]
_chemical_formula_sum '[Pr4 Y12 Bi8]'
_cell_volume [763.2978]
_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  0.1111  0.0000  0.1195  1
  Y  Y1  4  0.0586  0.0000  0.6739  1
  Y  Y2  4  0.1419  0.5000  0.4791  1
  Y  Y3  4  0.1887  0.5000  0.8924  1
  Bi  Bi4  4  0.0105  0.5000  0.8404  1
  Bi  Bi5  4  0.2468  0.0000  0.7147  1
]