data_GaGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeBi2
_chemical_formula_sum   'Ga1 Ge1 Bi2'
_cell_volume   102.56
_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
  Ga  Ga2  1  0.0  0.0  0.74  1.0
  Ge  Ge3  1  0.7  0.7  0.35  1.0
  Bi  Bi0  1  0.0  0.0  0.55  1.0
  Bi  Bi1  1  0.7  0.7  0.54  1.0

data_GaGeBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaGeBi2
_chemical_formula_sum   'Ga2 Ge2 Bi4'
_cell_volume   205.11
_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
  Ga  Ga0  2  0.0  0.0  0.74  1.0
  Ge  Ge1  2  0.2  0.5  0.35  1.0
  Bi  Bi2  2  0.0  0.0  0.55  1.0
  Bi  Bi3  2  0.2  0.5  0.54  1.0

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