data_[Li2La12Hg4]
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 [P2_1/c]
_cell_length_a [6.7196]
_cell_length_b [9.4964]
_cell_length_c [9.9811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li(La3Hg)2]
_chemical_formula_sum '[Li2 La12 Hg4]'
_cell_volume [570.1685]
_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  2  0.5000  0.0000  0.5000  1.0
  La  La1  4  0.0810  0.5467  0.7073  1.0
  La  La2  4  0.1519  0.2092  0.5592  1.0
  La  La3  4  0.4189  0.6516  0.5234  1.0
  Hg  Hg4  4  0.3370  0.5931  0.1950  1.0
]