data_Ge3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   134.43
_cell_angle_beta   134.43
_cell_angle_gamma   66.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Bi
_chemical_formula_sum   'Ge3 Bi1'
_cell_volume   91.81
_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
  Ge  Ge1  1  0.0  0.2  0.37  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.2  0.0  0.37  1.0
  Bi  Bi0  1  0.0  0.0  0.75  1.0

data_Ge3Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   123.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge3Bi
_chemical_formula_sum   'Ge6 Bi2'
_cell_volume   183.61
_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
  Ge  Ge0  4  0.22  0.4  0.82  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.25  0.0  0.25  1.0

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