data_Ba2SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnPb
_chemical_formula_sum   'Ba2 Sn1 Pb1'
_cell_volume   152.83
_cell_formula_units_Z   1
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  0.93  0.53  0.96  1.0
  Ba  Ba1  1  0.93  0.47  0.96  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.87  0.0  0.0  1.0

data_Ba2SnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   105.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnPb
_chemical_formula_sum   'Ba2 Sn1 Pb1'
_cell_volume   152.83
_cell_formula_units_Z   1
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  0.96  0.93  0.47  1.0
  Ba  Ba1  1  0.96  0.93  0.53  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.87  0.0  1.0

Ba Ba Sn Pb
Ba Ba Sn Pb 0 1 o o o 2 3 - o o 