data_Ge2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91
_cell_length_b   9.91
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   156.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2Bi
_chemical_formula_sum   'Ge4 Bi2'
_cell_volume   148.34
_cell_formula_units_Z   2
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
  Ge  Ge2  1  0.0  0.91  0.86  1.0
  Ge  Ge3  1  0.0  0.09  0.95  1.0
  Ge  Ge4  1  0.0  0.23  0.86  1.0
  Ge  Ge5  1  0.0  0.77  0.95  1.0
  Bi  Bi0  1  0.0  0.44  0.86  1.0
  Bi  Bi1  1  0.0  0.56  0.95  1.0

data_Ge2Bi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.81
_cell_length_b   4.01
_cell_length_c   9.91
_cell_angle_alpha   101.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ge2Bi
_chemical_formula_sum   'Ge4 Bi2'
_cell_volume   148.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ge  Ge0  2  0.45  0.09  0.09  1.0
  Ge  Ge1  2  0.45  0.77  0.77  1.0
  Bi  Bi2  2  0.45  0.56  0.56  1.0

Ge Ge Ge Ge Bi Bi
Ge Ge Ge Ge Bi Bi 0 3 o o o 1 2 o o o 4 5 o o o 