data_[Na1Tl2Hg1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6620]
_cell_length_b [5.7877]
_cell_length_c [5.8908]
_cell_angle_alpha [113.2055]
_cell_angle_beta [104.6184]
_cell_angle_gamma [90.2263]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaTl2HgF6]
_chemical_formula_sum '[Na1 Tl2 Hg1 F6]'
_cell_volume [170.5124]
_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  0.4965  0.4970  0.1025  1
  Tl  Tl1  1  0.2923  0.8043  0.6653  1
  Tl  Tl2  1  0.7880  0.3003  0.5762  1
  Hg  Hg3  1  0.9680  0.0703  0.1634  1
  F  F4  1  0.1178  0.1987  0.8791  1
  F  F5  1  0.2572  0.7959  0.0515  1
  F  F6  1  0.3782  0.3868  0.4087  1
  F  F7  1  0.6126  0.1422  0.8171  1
  F  F8  1  0.7119  0.6492  0.8873  1
  F  F9  1  0.8764  0.6593  0.4469  1
]