data_[Li2In10Hg12]
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 [Cmmm]
_cell_length_a [5.1359]
_cell_length_b [15.5092]
_cell_length_c [7.8205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LiIn5Hg6]
_chemical_formula_sum '[Li2 In10 Hg12]'
_cell_volume [622.9304]
_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  2  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.0000  0.3207  0.5000  1.0
  In  In2  4  0.0000  0.3438  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  8  0.0000  0.1603  0.2347  1.0
  Hg  Hg5  4  0.0000  0.5000  0.2601  1.0
]