data_[Na2Ag1Hg1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0633]
_cell_length_b [7.3915]
_cell_length_c [7.6119]
_cell_angle_alpha [67.8962]
_cell_angle_beta [64.9549]
_cell_angle_gamma [65.1136]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2AgHgBr6]
_chemical_formula_sum '[Na2 Ag1 Hg1 Br6]'
_cell_volume [316.9713]
_cell_formula_units_Z [1]
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  1  0.0075  0.9755  0.0367  1
  Na  Na1  1  0.4637  0.5142  0.5548  1
  Ag  Ag2  1  0.6772  0.6630  0.9843  1
  Hg  Hg3  1  0.1808  0.1807  0.4627  1
  Br  Br4  1  0.0263  0.7807  0.7509  1
  Br  Br5  1  0.3061  0.5800  0.2156  1
  Br  Br6  1  0.3975  0.0942  0.6968  1
  Br  Br7  1  0.5900  0.8803  0.2339  1
  Br  Br8  1  0.7645  0.4032  0.7811  1
  Br  Br9  1  0.9249  0.2665  0.2680  1
]