data_[Ba4Sn6Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7718]
_cell_length_b [4.9611]
_cell_length_c [8.0028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sn3Pb2]
_chemical_formula_sum '[Ba4 Sn6 Pb4]'
_cell_volume [489.3947]
_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  0.1415  0.0000  0.7708  1.0
  Sn  Sn1  4  0.1003  0.5000  0.4354  1.0
  Sn  Sn2  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb3  4  0.1480  0.0000  0.2382  1.0
]