data_[Th12Sc4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.4226]
_cell_length_b [17.8832]
_cell_length_c [6.4206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Th3ScBi2]
_chemical_formula_sum '[Th12 Sc4 Bi8]'
_cell_volume [737.4450]
_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
[
  Th  Th0  8  0.2377  0.3199  0.5000  1
  Th  Th1  4  0.0000  0.5000  0.2500  1
  Sc  Sc2  4  0.0000  0.0000  0.2500  1
  Bi  Bi3  8  0.2280  0.1328  0.5000  1
]