data_Ba2SbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SbPb
_chemical_formula_sum   'Ba2 Sb1 Pb1'
_cell_volume   176.82
_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  0.14  0.14  0.93  1.0
  Ba  Ba1  1  0.0  0.0  0.06  1.0
  Sb  Sb3  1  0.0  0.0  0.72  1.0
  Pb  Pb2  1  0.14  0.14  0.42  1.0

data_Ba2SbPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2SbPb
_chemical_formula_sum   'Ba4 Sb2 Pb2'
_cell_volume   353.64
_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  0.06  1.0
  Ba  Ba1  2  0.14  0.0  0.93  1.0
  Sb  Sb2  2  0.0  0.0  0.72  1.0
  Pb  Pb3  2  0.14  0.0  0.42  1.0

Ba Ba Sb Pb
Ba Ba Sb Pb 0 1 o o + 0 2 o o o 1 3 o o o 2 3 o o o 