data_Ba2SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65
_cell_length_b   9.65
_cell_length_c   9.65
_cell_angle_alpha   29.8
_cell_angle_beta   29.8
_cell_angle_gamma   29.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnPb
_chemical_formula_sum   'Ba2 Sn1 Pb1'
_cell_volume   196.54
_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  0.0  0.0  0.77  1.0
  Ba  Ba1  1  0.0  0.0  0.6  1.0
  Sn  Sn3  1  0.0  0.0  0.34  1.0
  Pb  Pb2  1  0.0  0.0  0.41  1.0

data_Ba2SnPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.6
_cell_length_b   4.96
_cell_length_c   9.65
_cell_angle_alpha   90.0
_cell_angle_beta   107.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2SnPb
_chemical_formula_sum   'Ba4 Sn2 Pb2'
_cell_volume   393.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.23  1.0
  Ba  Ba1  2  0.0  0.0  0.4  1.0
  Sn  Sn2  2  0.0  0.0  0.66  1.0
  Pb  Pb3  2  0.0  0.0  0.59  1.0

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