data_[Na1Hg1As1Cl6]
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
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0030]
_cell_length_b [7.1040]
_cell_length_c [7.1122]
_cell_angle_alpha [119.1685]
_cell_angle_beta [104.2966]
_cell_angle_gamma [98.1024]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaHgAsCl6]
_chemical_formula_sum '[Na1 Hg1 As1 Cl6]'
_cell_volume [284.7551]
_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  0.4684  0.3436  0.6783  1.0
  Hg  Hg1  1  0.2223  0.9343  0.9205  1.0
  As  As2  1  0.5185  0.6906  0.3568  1.0
  Cl  Cl3  1  0.2183  0.2701  0.2605  1.0
  Cl  Cl4  1  0.2278  0.5836  0.9155  1.0
  Cl  Cl5  1  0.2423  0.9292  0.5781  1.0
  Cl  Cl6  1  0.6960  0.4840  0.1506  1.0
  Cl  Cl7  1  0.6962  0.0303  0.4391  1.0
  Cl  Cl8  1  0.7102  0.7346  0.7007  1.0
]