data_[Mg16Sn2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3607]
_cell_length_b [4.6397]
_cell_length_c [7.2550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8SnPb2]
_chemical_formula_sum '[Mg16 Sn2 Pb4]'
_cell_volume [530.4510]
_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  0.0401  0.0000  0.7278  1.0
  Mg  Mg1  4  0.0885  0.5000  0.4509  1.0
  Mg  Mg2  4  0.1372  0.0000  0.1825  1.0
  Mg  Mg3  4  0.1771  0.5000  0.9128  1.0
  Sn  Sn4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.2217  0.0000  0.6536  1.0
]