data_GaGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   4.55
_cell_length_c   6.77
_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   107.99
_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  0.34  1.0
  Ge  Ge3  1  0.75  0.28  0.12  1.0
  Bi  Bi0  1  0.0  0.0  0.29  1.0
  Bi  Bi1  1  0.75  0.28  0.19  1.0

data_GaGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.55
_cell_length_c   6.77
_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   107.99
_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  Ga0  1  0.0  0.0  0.34  1.0
  Ge  Ge1  1  0.75  0.28  0.12  1.0
  Bi  Bi2  1  0.0  0.0  0.29  1.0
  Bi  Bi3  1  0.75  0.28  0.19  1.0

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