data_[Li4Hg4Br12]
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 [Cmc2_1]
_cell_length_a [4.2206]
_cell_length_b [21.1310]
_cell_length_c [6.8909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiHgBr3]
_chemical_formula_sum '[Li4 Hg4 Br12]'
_cell_volume [614.5680]
_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  0.3274  0.0004  1.0
  Hg  Hg1  4  0.0000  0.1263  0.0409  1.0
  Br  Br2  4  0.0000  0.1096  0.6715  1.0
  Br  Br3  4  0.0000  0.2310  0.2631  1.0
  Br  Br4  4  0.0000  0.4306  0.7299  1.0
]