data_[Mg24Cd2Pb4]
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 [P4/nbm]
_cell_length_a [5.9592]
_cell_length_b [5.9592]
_cell_length_c [21.7864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [Mg12CdPb2]
_chemical_formula_sum '[Mg24 Cd2 Pb4]'
_cell_volume [773.6902]
_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  0.1731  0.3269  0.4367  1
  Mg  Mg1  8  0.2425  0.2575  0.9044  1
  Mg  Mg2  4  0.0000  0.0000  0.1998  1
  Mg  Mg3  4  0.0000  0.0000  0.3345  1
  Cd  Cd4  2  0.0000  0.5000  0.0000  1
  Pb  Pb5  4  0.0000  0.5000  0.2639  1
]