data_[Na1Al1Hg2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6439]
_cell_length_b [6.8927]
_cell_length_c [7.0333]
_cell_angle_alpha [68.9050]
_cell_angle_beta [76.8455]
_cell_angle_gamma [61.8679]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaAl(HgCl2)2]
_chemical_formula_sum '[Na1 Al1 Hg2 Cl4]'
_cell_volume [264.3451]
_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  0.0548  0.4931  0.0525  1.0
  Al  Al1  1  0.7591  0.2662  0.7273  1.0
  Hg  Hg2  1  0.1010  0.7584  0.3434  1.0
  Hg  Hg3  1  0.4408  0.0253  0.3608  1.0
  Cl  Cl4  1  0.0667  0.2313  0.8190  1.0
  Cl  Cl5  1  0.4666  0.5211  0.8479  1.0
  Cl  Cl6  1  0.7412  0.9379  0.8391  1.0
  Cl  Cl7  1  0.7568  0.3796  0.3971  1.0
]