data_[Mg4Sc8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7102]
_cell_length_b [16.3140]
_cell_length_c [6.5313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg(ScPb)2]
_chemical_formula_sum '[Mg4 Sc8 Pb8]'
_cell_volume [501.8838]
_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
[
  Mg  Mg0  4  0.0000  0.3919  0.0407  1.0
  Sc  Sc1  4  0.0000  0.0104  0.2401  1.0
  Sc  Sc2  4  0.0000  0.1894  0.9328  1.0
  Pb  Pb3  4  0.0000  0.1923  0.4285  1.0
  Pb  Pb4  4  0.0000  0.4280  0.4923  1.0
]