data_[Mg16Cd4Pb2]
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 [Imm2]
_cell_length_a [4.8760]
_cell_length_b [14.3350]
_cell_length_c [7.3478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Mg8Cd2Pb]
_chemical_formula_sum '[Mg16 Cd4 Pb2]'
_cell_volume [513.5917]
_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  4  0.0000  0.1314  0.7687  1
  Mg  Mg1  4  0.0000  0.2952  0.4789  1
  Mg  Mg2  4  0.0000  0.3389  0.9357  1
  Mg  Mg3  2  0.0000  0.0000  0.4279  1
  Mg  Mg4  2  0.0000  0.5000  0.6337  1
  Cd  Cd5  4  0.0000  0.1586  0.1789  1
  Pb  Pb6  2  0.0000  0.5000  0.2158  1
]