data_[Li4Hg4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2055]
_cell_length_b [19.4349]
_cell_length_c [5.9234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiHgBr4]
_chemical_formula_sum '[Li4 Hg4 Br16]'
_cell_volume [907.6860]
_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  0.0000  0.1614  0.2500  1.0
  Hg  Hg1  4  0.0000  0.3775  0.7500  1.0
  Br  Br2  8  0.1259  0.7292  0.6161  1.0
  Br  Br3  8  0.2434  0.0767  0.3624  1.0
]