data_[Mg2Pb10]
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 [Cm]
_cell_length_a [13.0432]
_cell_length_b [3.6769]
_cell_length_c [8.1061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgPb5]
_chemical_formula_sum '[Mg2 Pb10]'
_cell_volume [367.0093]
_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  2  0.1112  0.5000  0.7219  1.0
  Pb  Pb1  2  0.0041  0.0000  0.9927  1.0
  Pb  Pb2  2  0.1652  0.5000  0.3362  1.0
  Pb  Pb3  2  0.2736  0.0000  0.0507  1.0
  Pb  Pb4  2  0.3296  0.0000  0.6679  1.0
  Pb  Pb5  2  0.4497  0.5000  0.3971  1.0
]