data_[Li6La2Hg18]
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 [C2/m]
_cell_length_a [5.7018]
_cell_length_b [14.4577]
_cell_length_c [7.5854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3LaHg9]
_chemical_formula_sum '[Li6 La2 Hg18]'
_cell_volume [580.1868]
_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  0.2500  0.2500  0.0000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  La  La2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  8  0.0818  0.6095  0.2103  1
  Hg  Hg4  8  0.1556  0.1771  0.3248  1
  Hg  Hg5  2  0.0000  0.0000  0.5000  1
]