data_[Mg16Ge2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1828]
_cell_length_b [4.5847]
_cell_length_c [7.1390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8GePb2]
_chemical_formula_sum '[Mg16 Ge2 Pb4]'
_cell_volume [512.0309]
_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  0.0385  0.0000  0.7324  1
  Mg  Mg1  4  0.0869  0.5000  0.4379  1
  Mg  Mg2  4  0.1348  0.0000  0.1748  1
  Mg  Mg3  4  0.1719  0.5000  0.9112  1
  Ge  Ge4  2  0.0000  0.5000  0.0000  1
  Pb  Pb5  4  0.2202  0.0000  0.6544  1
]