data_[Ba8In8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4718]
_cell_length_b [4.9990]
_cell_length_c [13.0780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2In2Pb]
_chemical_formula_sum '[Ba8 In8 Pb4]'
_cell_volume [793.5395]
_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  4  0.1008  0.0000  0.8953  1.0
  Ba  Ba1  4  0.2139  0.5000  0.6587  1.0
  In  In2  4  0.0728  0.0000  0.4445  1.0
  In  In3  4  0.1185  0.5000  0.1060  1.0
  Pb  Pb4  4  0.0553  0.5000  0.3084  1.0
]