data_Sn2GeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.84
_cell_angle_alpha   102.55
_cell_angle_beta   102.55
_cell_angle_gamma   34.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeBi
_chemical_formula_sum   'Sn2 Ge1 Bi1'
_cell_volume   108.86
_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  Sn2  1  0.08  0.0  0.06  1.0
  Sn  Sn3  1  0.78  0.0  0.33  1.0
  Ge  Ge1  1  0.94  0.0  0.39  1.0
  Bi  Bi0  1  0.8  0.0  0.75  1.0

data_Sn2GeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.8
_cell_length_c   5.84
_cell_angle_alpha   102.55
_cell_angle_beta   90.0
_cell_angle_gamma   107.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeBi
_chemical_formula_sum   'Sn2 Ge1 Bi1'
_cell_volume   108.86
_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  Sn0  1  0.0  0.22  0.67  1.0
  Sn  Sn1  1  0.0  0.92  0.94  1.0
  Ge  Ge2  1  0.0  0.06  0.61  1.0
  Bi  Bi3  1  0.0  0.2  0.25  1.0

Sn Sn Ge Bi