data_[Mg12Pb20]
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 [C2/m]
_cell_length_a [6.1340]
_cell_length_b [16.8176]
_cell_length_c [9.3199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3Pb5]
_chemical_formula_sum '[Mg12 Pb20]'
_cell_volume [915.1340]
_cell_formula_units_Z [4]
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  0.1751  0.5000  1.0
  Mg  Mg1  4  0.0000  0.2441  0.0000  1.0
  Mg  Mg2  4  0.1961  0.5000  0.8622  1.0
  Pb  Pb3  8  0.0949  0.3280  0.7018  1.0
  Pb  Pb4  8  0.1791  0.1058  0.8428  1.0
  Pb  Pb5  4  0.2348  0.0000  0.4686  1.0
]