data_[Mg32Al24Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5561]
_cell_length_b [14.8636]
_cell_length_c [9.0858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg16Al12Pb]
_chemical_formula_sum '[Mg32 Al24 Pb2]'
_cell_volume [1190.0056]
_cell_formula_units_Z [2]
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  4  0.0576  0.3446  0.4002  1
  Mg  Mg1  4  0.1542  0.1593  0.6003  1
  Mg  Mg2  4  0.1712  0.1749  0.9933  1
  Mg  Mg3  4  0.3004  0.2988  0.3167  1
  Mg  Mg4  4  0.4633  0.1429  0.0061  1
  Mg  Mg5  4  0.4832  0.1978  0.6809  1
  Mg  Mg6  2  0.0003  0.0000  0.0013  1
  Mg  Mg7  2  0.1669  0.5000  0.6679  1
  Mg  Mg8  2  0.1866  0.5000  0.2893  1
  Mg  Mg9  2  0.4999  0.5000  0.3449  1
  Al  Al10  4  0.0039  0.1841  0.1873  1
  Al  Al11  4  0.2341  0.4084  0.0098  1
  Al  Al12  4  0.2694  0.0952  0.3514  1
  Al  Al13  4  0.3176  0.3159  0.8178  1
  Al  Al14  4  0.4045  0.4079  0.6330  1
  Al  Al15  2  0.1719  0.0000  0.8218  1
  Al  Al16  2  0.3677  0.0000  0.1741  1
  Pb  Pb17  2  0.3907  0.0000  0.7067  1
]