data_GaPbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.29
_cell_length_c   3.44
_cell_angle_alpha   75.73
_cell_angle_beta   72.74
_cell_angle_gamma   31.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPbAu
_chemical_formula_sum   'Ga1 Pb1 Au1'
_cell_volume   69.09
_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  Ga1  1  0.31  0.55  0.46  1.0
  Pb  Pb2  1  0.31  0.55  0.93  1.0
  Au  Au0  1  0.31  0.55  0.31  1.0

data_GaPbAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   11.7
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   132.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaPbAu
_chemical_formula_sum   'Ga2 Pb2 Au2'
_cell_volume   138.18
_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  0.46  0.0  0.77  1.0
  Pb  Pb1  2  0.43  0.5  0.24  1.0
  Au  Au2  2  0.31  0.0  0.62  1.0

Ga Pb Au