data_[Mg12Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [5.9328]
_cell_length_b [5.9328]
_cell_length_c [10.1065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [Mg6Pb]
_chemical_formula_sum '[Mg12 Pb2]'
_cell_volume [355.7267]
_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  0.1737  0.3263  0.3644  1
  Mg  Mg1  4  0.0000  0.0000  0.1460  1
  Pb  Pb2  2  0.0000  0.5000  0.0000  1
]