data_[Mg16Pt2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0740]
_cell_length_b [4.9581]
_cell_length_c [6.8775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8PtPb2]
_chemical_formula_sum '[Mg16 Pt2 Pb4]'
_cell_volume [501.0908]
_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  0.0082  0.0000  0.7917  1.0
  Mg  Mg1  4  0.1177  0.5000  0.3944  1.0
  Mg  Mg2  4  0.1411  0.5000  0.9008  1.0
  Mg  Mg3  4  0.1826  0.0000  0.2097  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1788  0.0000  0.6765  1.0
]