data_[Li4Mg2Pb16]
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 [C2/m]
_cell_length_a [9.3306]
_cell_length_b [12.5285]
_cell_length_c [5.4946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2MgPb8]
_chemical_formula_sum '[Li4 Mg2 Pb16]'
_cell_volume [630.6316]
_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
[
  Li  Li0  4  0.0000  0.3577  0.0000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  8  0.1822  0.1352  0.0883  1.0
  Pb  Pb3  4  0.0000  0.2647  0.5000  1.0
  Pb  Pb4  4  0.1694  0.5000  0.3876  1.0
]