data_[Li4In20Hg12]
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 [C2/m]
_cell_length_a [11.4916]
_cell_length_b [9.0443]
_cell_length_c [10.2431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiIn5Hg3]
_chemical_formula_sum '[Li4 In20 Hg12]'
_cell_volume [1042.4796]
_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  0.1167  0.0000  0.2686  1
  In  In1  8  0.1161  0.1864  0.7604  1
  In  In2  4  0.0000  0.3146  0.0000  1
  In  In3  4  0.0456  0.5000  0.6594  1
  In  In4  4  0.2327  0.5000  0.9376  1
  Hg  Hg5  4  0.1608  0.5000  0.2034  1
  Hg  Hg6  4  0.2336  0.5000  0.4960  1
  Hg  Hg7  2  0.0000  0.0000  0.0000  1
  Hg  Hg8  2  0.0000  0.0000  0.5000  1
]