data_[Ba24Ge8Pb4]
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 [Immm]
_cell_length_a [11.1060]
_cell_length_b [11.7042]
_cell_length_c [12.0506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba6Ge2Pb]
_chemical_formula_sum '[Ba24 Ge8 Pb4]'
_cell_volume [1566.4258]
_cell_formula_units_Z [4]
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  8  0.0000  0.2004  0.2281  1
  Ba  Ba1  8  0.1941  0.5000  0.1726  1
  Ba  Ba2  8  0.2130  0.3204  0.5000  1
  Ge  Ge3  4  0.0000  0.3727  0.0000  1
  Ge  Ge4  4  0.0000  0.5000  0.3894  1
  Pb  Pb5  2  0.0000  0.0000  0.0000  1
  Pb  Pb6  2  0.0000  0.0000  0.5000  1
]