data_[Sc10Bi3Pb3]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.6156]
_cell_length_b [8.6156]
_cell_length_c [6.0888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Sc10(BiPb)3]
_chemical_formula_sum '[Sc10 Bi3 Pb3]'
_cell_volume [391.4087]
_cell_formula_units_Z [1]
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  4  0.3333  0.6667  0.2516  1
  Sc  Sc1  3  0.0000  0.2370  0.5000  1
  Sc  Sc2  3  0.0000  0.7635  0.0000  1
  Bi  Bi3  3  0.0000  0.3912  0.0000  1
  Pb  Pb4  3  0.0000  0.6098  0.5000  1
]