data_[Li2In6Hg2]
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 [P2_1/m]
_cell_length_a [3.4261]
_cell_length_b [9.6691]
_cell_length_c [7.9742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiIn3Hg]
_chemical_formula_sum '[Li2 In6 Hg2]'
_cell_volume [258.2282]
_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  0.2829  0.2500  0.0661  1.0
  In  In1  4  0.1583  0.0075  0.8283  1.0
  In  In2  2  0.4232  0.7500  0.3188  1.0
  Hg  Hg3  2  0.0828  0.7500  0.6332  1.0
]