data_[Mg8Cd4Pb12]
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 [Cmmm]
_cell_length_a [5.4932]
_cell_length_b [16.5785]
_cell_length_c [7.0626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg2CdPb3]
_chemical_formula_sum '[Mg8 Cd4 Pb12]'
_cell_volume [643.1855]
_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  0.3290  0.5000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  Cd  Cd3  4  0.0000  0.3322  0.0000  1
  Pb  Pb4  8  0.0000  0.1638  0.2512  1
  Pb  Pb5  4  0.0000  0.5000  0.2521  1
]