data_[Li2Hg9Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.4028]
_cell_length_b [4.5564]
_cell_length_c [14.4573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Li2Hg9Pb]
_chemical_formula_sum '[Li2 Hg9 Pb1]'
_cell_volume [290.0243]
_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
[
  Li  Li0  2  0.5000  0.0000  0.3436  1
  Hg  Hg1  2  0.0000  0.0000  0.1862  1
  Hg  Hg2  2  0.0000  0.5000  0.3420  1
  Hg  Hg3  2  0.5000  0.5000  0.1823  1
  Hg  Hg4  1  0.0000  0.0000  0.5000  1
  Hg  Hg5  1  0.0000  0.5000  0.0000  1
  Hg  Hg6  1  0.5000  0.5000  0.5000  1
  Pb  Pb7  1  0.5000  0.0000  0.0000  1
]