data_[Na2Hg2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9342]
_cell_length_b [8.0501]
_cell_length_c [8.6724]
_cell_angle_alpha [113.2548]
_cell_angle_beta [93.0736]
_cell_angle_gamma [108.5283]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaHgBr3]
_chemical_formula_sum '[Na2 Hg2 Br6]'
_cell_volume [353.1969]
_cell_formula_units_Z [2]
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  2  0.2524  0.2827  0.6466  1.0
  Hg  Hg1  2  0.1368  0.7536  0.7550  1.0
  Br  Br2  2  0.0732  0.0213  0.2664  1.0
  Br  Br3  2  0.2415  0.6470  0.4108  1.0
  Br  Br4  2  0.4056  0.6745  0.9305  1.0
]