data_[Li12La4Hg8]
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 [14.6917]
_cell_length_b [4.4488]
_cell_length_c [9.7722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3LaHg2]
_chemical_formula_sum '[Li12 La4 Hg8]'
_cell_volume [531.4686]
_cell_formula_units_Z [4]
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  0.0592  0.0000  0.3994  1
  Li  Li1  4  0.0699  0.5000  0.6767  1
  Li  Li2  4  0.2302  0.5000  0.5713  1
  La  La3  4  0.1310  0.0000  0.0120  1
  Hg  Hg4  4  0.0783  0.5000  0.2237  1
  Hg  Hg5  4  0.1913  0.0000  0.7328  1
]