data_[Li4In8Hg20]
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 [Cmcm]
_cell_length_a [5.4719]
_cell_length_b [11.4682]
_cell_length_c [13.0531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiIn2Hg5]
_chemical_formula_sum '[Li4 In8 Hg20]'
_cell_volume [819.1237]
_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  0.0000  0.2600  0.2500  1.0
  In  In1  8  0.0000  0.2143  0.6287  1.0
  Hg  Hg2  8  0.0000  0.0697  0.1132  1.0
  Hg  Hg3  8  0.0000  0.3779  0.0535  1.0
  Hg  Hg4  4  0.0000  0.4730  0.7500  1.0
]