data_Ba2SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   127.87
_cell_angle_beta   127.87
_cell_angle_gamma   76.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnBi
_chemical_formula_sum   'Ba2 Sn1 Bi1'
_cell_volume   152.9
_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  0.78  0.0  0.48  1.0
  Ba  Ba1  1  0.0  0.78  0.48  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.0  0.95  1.0

data_Ba2SnBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.86
_cell_length_b   7.86
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   128.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2SnBi
_chemical_formula_sum   'Ba4 Sn2 Bi2'
_cell_volume   305.79
_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  4  0.11  0.89  0.7  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.95  1.0

Ba Ba Sn Bi