data_[Sc20Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.2804]
_cell_length_b [8.9408]
_cell_length_c [7.8013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sc5Bi3]
_chemical_formula_sum '[Sc20 Bi12]'
_cell_volume [786.8002]
_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
[
  Sc  Sc0  8  0.0643  0.0645  0.8056  1
  Sc  Sc1  4  0.0063  0.2500  0.4799  1
  Sc  Sc2  4  0.2132  0.7500  0.1597  1
  Sc  Sc3  4  0.2314  0.2500  0.1772  1
  Bi  Bi4  8  0.1756  0.5098  0.4360  1
  Bi  Bi5  4  0.0254  0.7500  0.9015  1
]