data_[Pr4Sc4Bi12]
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 [Pbcm]
_cell_length_a [13.9134]
_cell_length_b [6.4922]
_cell_length_c [6.7198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [PrScBi3]
_chemical_formula_sum '[Pr4 Sc4 Bi12]'
_cell_volume [606.9891]
_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  0.3174  0.5120  0.2500  1
  Sc  Sc1  4  0.0975  0.2500  0.0000  1
  Bi  Bi2  4  0.0734  0.6294  0.2500  1
  Bi  Bi3  4  0.2418  0.0027  0.2500  1
  Bi  Bi4  4  0.4968  0.2500  0.0000  1
]