data_[Li12Mg12Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [8.5087]
_cell_length_b [8.5087]
_cell_length_c [8.5087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Li3Mg3Pb]
_chemical_formula_sum '[Li12 Mg12 Pb4]'
_cell_volume [616.0170]
_cell_formula_units_Z [4]
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
[
  Li  Li0  12  0.0228  0.3227  0.8717  1
  Mg  Mg1  4  0.0371  0.4629  0.5371  1
  Mg  Mg2  4  0.1670  0.1670  0.1670  1
  Mg  Mg3  4  0.1684  0.8316  0.3316  1
  Pb  Pb4  4  0.1343  0.6343  0.8657  1
]