data_[Ge6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2335]
_cell_length_b [13.7457]
_cell_length_c [5.5018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [GePb]
_chemical_formula_sum '[Ge6 Pb6]'
_cell_volume [320.1646]
_cell_formula_units_Z [6]
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
[
  Ge  Ge0  4  0.0000  0.1629  0.6715  1
  Ge  Ge1  2  0.0000  0.0000  0.3738  1
  Pb  Pb2  4  0.5000  0.1694  0.2387  1
  Pb  Pb3  2  0.5000  0.0000  0.8079  1
]