data_[Ba4Ge2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7476]
_cell_length_b [7.0437]
_cell_length_c [7.0574]
_cell_angle_alpha [82.6618]
_cell_angle_beta [72.7907]
_cell_angle_gamma [72.8100]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2GePb]
_chemical_formula_sum '[Ba4 Ge2 Pb2]'
_cell_volume [305.7968]
_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
[
  Ba  Ba0  2  0.2595  0.5619  0.3085  1.0
  Ba  Ba1  2  0.2819  0.0584  0.8024  1.0
  Ge  Ge2  2  0.1363  0.0765  0.3555  1.0
  Pb  Pb3  2  0.1500  0.6017  0.8273  1.0
]