data_[Ba4In6Pb4]
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 [12.5499]
_cell_length_b [5.1190]
_cell_length_c [7.9434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2In3Pb2]
_chemical_formula_sum '[Ba4 In6 Pb4]'
_cell_volume [484.3084]
_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  4  0.1419  0.0000  0.7732  1.0
  In  In1  4  0.0934  0.5000  0.4206  1.0
  In  In2  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb3  4  0.1627  0.0000  0.2639  1.0
]