data_[Li12Y4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8830]
_cell_length_b [4.1249]
_cell_length_c [9.5987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3YHg2]
_chemical_formula_sum '[Li12 Y4 Hg8]'
_cell_volume [491.0238]
_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  0.0646  0.0000  0.4119  1.0
  Li  Li1  4  0.0752  0.5000  0.6850  1.0
  Li  Li2  4  0.2403  0.5000  0.5876  1.0
  Y  Y3  4  0.1248  0.0000  0.9962  1.0
  Hg  Hg4  4  0.0748  0.5000  0.2170  1.0
  Hg  Hg5  4  0.2050  0.0000  0.7563  1.0
]