data_Ba2SnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.86
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnSb
_chemical_formula_sum   'Ba2 Sn1 Sb1'
_cell_volume   150.28
_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  0.02  0.43  0.94  1.0
  Ba  Ba1  1  0.02  0.43  0.73  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.84  1.0

data_Ba2SnSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.86
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnSb
_chemical_formula_sum   'Ba2 Sn1 Sb1'
_cell_volume   150.28
_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  0.02  0.43  0.73  1.0
  Ba  Ba1  1  0.02  0.43  0.94  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.84  1.0

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