data_[Na2Hg1Au1I6]
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
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5098]
_cell_length_b [7.9903]
_cell_length_c [8.0876]
_cell_angle_alpha [70.5814]
_cell_angle_beta [66.3650]
_cell_angle_gamma [67.5177]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2HgAuI6]
_chemical_formula_sum '[Na2 Hg1 Au1 I6]'
_cell_volume [401.5003]
_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  0.0285  0.9616  0.0393  1.0
  Na  Na1  1  0.4603  0.5256  0.5463  1.0
  Hg  Hg2  1  0.1601  0.1689  0.4869  1.0
  Au  Au3  1  0.6735  0.6628  0.9888  1.0
  I  I4  1  0.0136  0.7853  0.7463  1.0
  I  I5  1  0.3095  0.5788  0.2079  1.0
  I  I6  1  0.3996  0.1016  0.6919  1.0
  I  I7  1  0.6001  0.8769  0.2303  1.0
  I  I8  1  0.7577  0.4077  0.7853  1.0
  I  I9  1  0.9355  0.2692  0.2619  1.0
]