data_[Ba4Sn4Pb4]
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 [P2_1/c]
_cell_length_a [7.0364]
_cell_length_b [7.0942]
_cell_length_c [9.2276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaSnPb]
_chemical_formula_sum '[Ba4 Sn4 Pb4]'
_cell_volume [437.1123]
_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  0.2022  0.1250  0.8766  1
  Sn  Sn1  4  0.1746  0.6358  0.0109  1
  Pb  Pb2  4  0.4065  0.5916  0.7884  1
]