data_Mg16Al12Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   109.38
_cell_angle_beta   109.38
_cell_angle_gamma   109.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg16Al12Pb
_chemical_formula_sum   'Mg16 Al12 Pb1'
_cell_volume   597.08
_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  0.66  0.2  1.0
  Mg  Mg1  1  0.0  0.27  0.6  1.0
  Mg  Mg2  1  0.0  0.44  0.09  1.0
  Mg  Mg3  1  0.0  0.0  0.03  1.0
  Mg  Mg4  1  0.11  0.97  0.82  1.0
  Mg  Mg5  1  0.36  0.36  0.6  1.0
  Mg  Mg6  1  0.38  0.19  0.82  1.0
  Mg  Mg7  1  0.1  0.17  0.2  1.0
  Mg  Mg8  1  0.98  0.28  0.09  1.0
  Mg  Mg9  1  0.51  0.84  0.82  1.0
  Mg  Mg10  1  0.49  0.84  0.82  1.0
  Mg  Mg11  1  0.02  0.28  0.09  1.0
  Mg  Mg12  1  0.9  0.17  0.2  1.0
  Mg  Mg13  1  0.62  0.19  0.82  1.0
  Mg  Mg14  1  0.64  0.36  0.6  1.0
  Mg  Mg15  1  0.89  0.97  0.82  1.0
  Al  Al16  1  0.0  0.52  0.63  1.0
  Al  Al17  1  0.0  0.62  0.77  1.0
  Al  Al18  1  0.38  0.21  0.48  1.0
  Al  Al19  1  0.4  0.19  0.77  1.0
  Al  Al20  1  0.93  0.09  0.48  1.0
  Al  Al21  1  0.26  0.74  0.63  1.0
  Al  Al22  1  0.31  0.7  0.48  1.0
  Al  Al23  1  0.69  0.7  0.48  1.0
  Al  Al24  1  0.74  0.74  0.63  1.0
  Al  Al25  1  0.07  0.09  0.48  1.0
  Al  Al26  1  0.6  0.19  0.77  1.0
  Al  Al27  1  0.62  0.21  0.48  1.0
  Pb  Pb28  1  0.0  0.0  0.09  1.0

data_Mg16Al12Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   109.38
_cell_angle_beta   109.38
_cell_angle_gamma   109.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg16Al12Pb
_chemical_formula_sum   'Mg16 Al12 Pb1'
_cell_volume   597.08
_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  0.0  0.03  1.0
  Mg  Mg1  1  0.0  0.27  0.6  1.0
  Mg  Mg2  1  0.0  0.44  0.09  1.0
  Mg  Mg3  1  0.0  0.66  0.2  1.0
  Mg  Mg4  1  0.02  0.28  0.09  1.0
  Mg  Mg5  1  0.1  0.17  0.2  1.0
  Mg  Mg6  1  0.11  0.97  0.82  1.0
  Mg  Mg7  1  0.36  0.36  0.6  1.0
  Mg  Mg8  1  0.38  0.19  0.82  1.0
  Mg  Mg9  1  0.49  0.84  0.82  1.0
  Mg  Mg10  1  0.51  0.84  0.82  1.0
  Mg  Mg11  1  0.62  0.19  0.82  1.0
  Mg  Mg12  1  0.64  0.36  0.6  1.0
  Mg  Mg13  1  0.89  0.97  0.82  1.0
  Mg  Mg14  1  0.9  0.17  0.2  1.0
  Mg  Mg15  1  0.98  0.28  0.09  1.0
  Al  Al16  1  0.0  0.52  0.63  1.0
  Al  Al17  1  0.0  0.62  0.77  1.0
  Al  Al18  1  0.07  0.09  0.48  1.0
  Al  Al19  1  0.26  0.74  0.63  1.0
  Al  Al20  1  0.31  0.7  0.48  1.0
  Al  Al21  1  0.38  0.21  0.48  1.0
  Al  Al22  1  0.4  0.19  0.77  1.0
  Al  Al23  1  0.6  0.19  0.77  1.0
  Al  Al24  1  0.62  0.21  0.48  1.0
  Al  Al25  1  0.69  0.7  0.48  1.0
  Al  Al26  1  0.74  0.74  0.63  1.0
  Al  Al27  1  0.93  0.09  0.48  1.0
  Pb  Pb28  1  0.0  0.0  0.09  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Al Al Al Al Al Al Al Al Al Al Al Al Pb