data_[Mg10Cd2Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.3303]
_cell_length_b [9.3303]
_cell_length_c [9.2943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Mg5CdPb8]
_chemical_formula_sum '[Mg10 Cd2 Pb16]'
_cell_volume [809.1219]
_cell_formula_units_Z [2]
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  8  0.1148  0.1980  0.9099  1.0
  Mg  Mg1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  2  0.0000  0.5000  0.2500  1.0
  Pb  Pb3  8  0.0673  0.3366  0.5903  1.0
  Pb  Pb4  8  0.1017  0.1859  0.2454  1.0
]