data_[Li4In4Hg4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1945]
_cell_length_b [8.0703]
_cell_length_c [10.6830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiInHgBr4]
_chemical_formula_sum '[Li4 In4 Hg4 Br16]'
_cell_volume [1072.8799]
_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  0.2416  0.5000  0.7115  1.0
  In  In1  4  0.1510  0.5000  0.2772  1.0
  Hg  Hg2  4  0.0625  0.0000  0.7895  1.0
  Br  Br3  8  0.1683  0.2474  0.1404  1.0
  Br  Br4  4  0.0320  0.5000  0.6912  1.0
  Br  Br5  4  0.1992  0.0000  0.4961  1.0
]