data_[Li1In6Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3929]
_cell_length_b [6.4564]
_cell_length_c [7.5295]
_cell_angle_alpha [76.1869]
_cell_angle_beta [71.4925]
_cell_angle_gamma [89.0632]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li(In3Hg2)2]
_chemical_formula_sum '[Li1 In6 Hg4]'
_cell_volume [285.5864]
_cell_formula_units_Z [1]
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  1  1.0000  0.0036  0.0014  1
  In  In1  1  0.0047  0.5106  0.0001  1
  In  In2  1  0.1793  0.6190  0.3272  1
  In  In3  1  0.3777  0.3556  0.6803  1
  In  In4  1  0.4966  0.9832  0.0007  1
  In  In5  1  0.6207  0.1856  0.3079  1
  In  In6  1  0.8341  0.8230  0.6624  1
  Hg  Hg7  1  0.1290  0.1468  0.3058  1
  Hg  Hg8  1  0.3278  0.8580  0.6864  1
  Hg  Hg9  1  0.6762  0.6923  0.3144  1
  Hg  Hg10  1  0.8541  0.3225  0.7136  1
]