data_[Mg2Cd1Pb6]
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 [P-6m2]
_cell_length_a [3.5372]
_cell_length_b [3.5372]
_cell_length_c [24.0457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg2CdPb6]
_chemical_formula_sum '[Mg2 Cd1 Pb6]'
_cell_volume [260.5405]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.3320  1
  Cd  Cd1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  2  0.0000  0.0000  0.2291  1
  Pb  Pb3  2  0.0000  0.0000  0.4328  1
  Pb  Pb4  2  0.3333  0.6667  0.8914  1
]