data_SnGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.92
_cell_length_b   10.92
_cell_length_c   10.92
_cell_angle_alpha   18.41
_cell_angle_beta   18.41
_cell_angle_gamma   18.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeBi2
_chemical_formula_sum   'Sn1 Ge1 Bi2'
_cell_volume   113.33
_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
  Sn  Sn3  1  0.0  0.0  0.1  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.92  1.0
  Bi  Bi1  1  0.0  0.0  0.27  1.0

data_SnGeBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   3.49
_cell_length_c   10.92
_cell_angle_alpha   90.0
_cell_angle_beta   100.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnGeBi2
_chemical_formula_sum   'Sn2 Ge2 Bi4'
_cell_volume   226.67
_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
  Sn  Sn0  2  0.0  0.0  0.9  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.08  1.0
  Bi  Bi3  2  0.0  0.0  0.73  1.0

Sn Ge Bi Bi