data_[Li12In4Hg24]
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 [Cmc2_1]
_cell_length_a [10.1149]
_cell_length_b [14.1615]
_cell_length_c [6.6164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li3InHg6]
_chemical_formula_sum '[Li12 In4 Hg24]'
_cell_volume [947.7454]
_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  8  0.1574  0.1305  0.9334  1.0
  Li  Li1  4  0.0000  0.4188  0.8301  1.0
  In  In2  4  0.0000  0.2260  0.5856  1.0
  Hg  Hg3  8  0.1928  0.4787  0.1264  1.0
  Hg  Hg4  8  0.2475  0.3136  0.8246  1.0
  Hg  Hg5  4  0.0000  0.0045  0.6554  1.0
  Hg  Hg6  4  0.0000  0.2844  0.1452  1.0
]