data_GaPb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.52
_cell_angle_alpha   92.93
_cell_angle_beta   92.93
_cell_angle_gamma   101.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPb2Au
_chemical_formula_sum   'Ga1 Pb2 Au1'
_cell_volume   100.6
_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  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.57  0.09  0.75  1.0
  Pb  Pb3  1  0.57  0.91  0.75  1.0
  Au  Au0  1  0.43  0.0  0.0  1.0

data_GaPb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   101.28
_cell_angle_beta   92.93
_cell_angle_gamma   92.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPb2Au
_chemical_formula_sum   'Ga1 Pb2 Au1'
_cell_volume   100.6
_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  0.0  1.0
  Pb  Pb1  1  0.75  0.57  0.09  1.0
  Pb  Pb2  1  0.75  0.57  0.91  1.0
  Au  Au3  1  0.0  0.43  0.0  1.0

Ga Pb Pb Au