data_[Sc16Mo4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0647]
_cell_length_b [8.0647]
_cell_length_c [8.0647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Sc4MoPb]
_chemical_formula_sum '[Sc16 Mo4 Pb4]'
_cell_volume [524.5152]
_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  16  0.1226  0.1226  0.6226  1
  Mo  Mo1  4  0.2500  0.2500  0.2500  1
  Pb  Pb2  4  0.0000  0.0000  0.0000  1
]