data_SiGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   116.72
_cell_angle_beta   116.72
_cell_angle_gamma   95.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGeBi2
_chemical_formula_sum   'Si1 Ge1 Bi2'
_cell_volume   99.52
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.44  1.0
  Bi  Bi0  1  0.69  0.0  0.72  1.0
  Bi  Bi1  1  0.0  0.69  0.72  1.0

data_SiGeBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.88
_cell_length_b   7.61
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   132.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiGeBi2
_chemical_formula_sum   'Si2 Ge2 Bi4'
_cell_volume   199.03
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.06  0.5  0.56  1.0
  Bi  Bi2  4  0.13  0.16  0.28  1.0

Si Ge Bi Bi
Si Ge Bi Bi 0 2 - o - 0 3 o - - 0 1 o o o 0 1 o o - 1 2 - o o 1 3 o - o 