data_AlGa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   131.69
_cell_angle_beta   131.69
_cell_angle_gamma   70.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa2Pb
_chemical_formula_sum   'Al1 Ga2 Pb1'
_cell_volume   88.93
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.23  0.0  0.23  1.0
  Ga  Ga2  1  0.0  0.0  0.45  1.0
  Pb  Pb3  1  0.0  0.23  0.23  1.0

data_AlGa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   5.46
_cell_angle_alpha   114.16
_cell_angle_beta   114.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa2Pb
_chemical_formula_sum   'Al1 Ga2 Pb1'
_cell_volume   88.93
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.23  0.99  0.99  1.0
  Ga  Ga2  1  0.45  0.45  0.45  1.0
  Pb  Pb3  1  0.99  0.23  0.99  1.0

Al Ga Ga Pb
Al Ga Ga Pb 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 2 3 o o o 