data_[Li16Mg2Pb4]
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 [14.1945]
_cell_length_b [4.7545]
_cell_length_c [7.3186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8MgPb2]
_chemical_formula_sum '[Li16 Mg2 Pb4]'
_cell_volume [435.3190]
_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  0.0309  0.0000  0.7207  1.0
  Li  Li1  4  0.1023  0.5000  0.4566  1.0
  Li  Li2  4  0.1461  0.0000  0.2032  1.0
  Li  Li3  4  0.1779  0.5000  0.8961  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.2173  0.0000  0.6606  1.0
]