data_[Pr8Sc2Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.2141]
_cell_length_b [10.2141]
_cell_length_c [6.4972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Pr4ScBi5]
_chemical_formula_sum '[Pr8 Sc2 Bi10]'
_cell_volume [677.8462]
_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  8  0.0945  0.3015  0.5000  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Bi  Bi2  8  0.0975  0.2866  0.0000  1
  Bi  Bi3  2  0.0000  0.0000  0.5000  1
]