data_[Na4V4Hg8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7205]
_cell_length_b [10.7205]
_cell_length_c [10.7205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [NaV(HgBr3)2]
_chemical_formula_sum '[Na4 V4 Hg8 Br24]'
_cell_volume [1232.1022]
_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  0.0000  0.0000  1
  V  V1  4  0.0000  0.0000  0.5000  1
  Hg  Hg2  8  0.2500  0.2500  0.2500  1
  Br  Br3  24  0.0000  0.0000  0.2715  1
]