data_[Ba4Ge2Pb5]
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 [P2/m]
_cell_length_a [8.1085]
_cell_length_b [5.2004]
_cell_length_c [9.6266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Ge2Pb5]
_chemical_formula_sum '[Ba4 Ge2 Pb5]'
_cell_volume [405.8848]
_cell_formula_units_Z [1]
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  0.2149  0.5000  0.8601  1.0
  Ba  Ba1  2  0.2475  0.5000  0.3901  1.0
  Ge  Ge2  2  0.0717  0.0000  0.6188  1.0
  Pb  Pb3  2  0.1267  0.0000  0.1291  1.0
  Pb  Pb4  2  0.4245  0.0000  0.6535  1.0
  Pb  Pb5  1  0.5000  0.0000  0.0000  1.0
]