data_[Ba6Sn2Pb2]
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 [Pm]
_cell_length_a [7.7579]
_cell_length_b [5.6038]
_cell_length_c [10.9835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ba3SnPb]
_chemical_formula_sum '[Ba6 Sn2 Pb2]'
_cell_volume [454.2327]
_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  1  0.0126  0.0000  0.1669  1
  Ba  Ba1  1  0.2036  0.5000  0.5139  1
  Ba  Ba2  1  0.4369  0.0000  0.0430  1
  Ba  Ba3  1  0.5984  0.0000  0.4139  1
  Ba  Ba4  1  0.6220  0.5000  0.8705  1
  Ba  Ba5  1  0.9986  0.0000  0.7487  1
  Sn  Sn6  1  0.3451  0.5000  0.2320  1
  Sn  Sn7  1  0.4525  0.0000  0.6892  1
  Pb  Pb8  1  0.1229  0.5000  0.9481  1
  Pb  Pb9  1  0.7507  0.5000  0.2506  1
]