data_[Na8Li4Hg4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [4.2114]
_cell_length_b [17.6657]
_cell_length_c [14.6470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2LiHgBr5]
_chemical_formula_sum '[Na8 Li4 Hg4 Br20]'
_cell_volume [1089.7015]
_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
[
  Na  Na0  4  0.0000  0.0679  0.6488  1.0
  Na  Na1  4  0.0000  0.0935  0.3610  1.0
  Li  Li2  4  0.0000  0.4076  0.4202  1.0
  Hg  Hg3  4  0.0000  0.2417  0.0349  1.0
  Br  Br4  4  0.0000  0.0817  0.0202  1.0
  Br  Br5  4  0.0000  0.2448  0.6626  1.0
  Br  Br6  4  0.0000  0.2634  0.3913  1.0
  Br  Br7  4  0.0000  0.4014  0.0079  1.0
  Br  Br8  4  0.0000  0.4912  0.2770  1.0
]