data_[Na4In4Hg4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [14.1341]
_cell_length_b [7.9550]
_cell_length_c [10.7260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaInHgBr4]
_chemical_formula_sum '[Na4 In4 Hg4 Br16]'
_cell_volume [1118.9046]
_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  0.1810  0.5000  0.9102  1.0
  In  In1  4  0.1741  0.5000  0.2814  1.0
  Hg  Hg2  4  0.0568  0.0000  0.7901  1.0
  Br  Br3  8  0.1627  0.2541  0.1161  1.0
  Br  Br4  4  0.0082  0.5000  0.3245  1.0
  Br  Br5  4  0.1719  0.0000  0.5058  1.0
]