data_MgAl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.58
_cell_angle_alpha   101.03
_cell_angle_beta   101.03
_cell_angle_gamma   37.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2Pb
_chemical_formula_sum   'Mg1 Al2 Pb1'
_cell_volume   88.94
_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
  Mg  Mg2  1  0.28  0.0  0.61  1.0
  Al  Al0  1  0.07  0.0  0.21  1.0
  Al  Al1  1  0.05  0.0  0.27  1.0
  Pb  Pb3  1  0.61  0.0  0.1  1.0

data_MgAl2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.17
_cell_length_c   5.58
_cell_angle_alpha   101.03
_cell_angle_beta   90.0
_cell_angle_gamma   108.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2Pb
_chemical_formula_sum   'Mg1 Al2 Pb1'
_cell_volume   88.94
_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
  Mg  Mg0  1  0.0  0.72  0.39  1.0
  Al  Al1  1  0.0  0.93  0.79  1.0
  Al  Al2  1  0.0  0.95  0.73  1.0
  Pb  Pb3  1  0.0  0.39  0.9  1.0

Mg Al Al Pb