data_[Li8La18Hg22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.4763]
_cell_length_b [22.7444]
_cell_length_c [3.5861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li4La9Hg11]
_chemical_formula_sum '[Li8 La18 Hg22]'
_cell_volume [1262.3116]
_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  8  0.1430  0.3969  0.5000  1
  La  La1  8  0.1068  0.2514  0.5000  1
  La  La2  8  0.1473  0.0716  0.5000  1
  La  La3  2  0.0000  0.5000  0.5000  1
  Hg  Hg4  8  0.2482  0.1742  0.0000  1
  Hg  Hg5  4  0.0000  0.1494  0.0000  1
  Hg  Hg6  4  0.0000  0.3643  0.0000  1
  Hg  Hg7  4  0.1905  0.5000  0.0000  1
  Hg  Hg8  2  0.0000  0.0000  0.0000  1
]