data_[Na1Hg1B1F6]
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
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4639]
_cell_length_b [4.9656]
_cell_length_c [6.8806]
_cell_angle_alpha [95.8471]
_cell_angle_beta [105.5050]
_cell_angle_gamma [91.9777]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaHgBF6]
_chemical_formula_sum '[Na1 Hg1 B1 F6]'
_cell_volume [145.8957]
_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  0.9227  0.0505  0.9793  1.0
  Hg  Hg1  1  0.3260  0.4936  0.6725  1.0
  B  B2  1  0.6140  0.4945  0.1950  1.0
  F  F3  1  0.0411  0.7850  0.7186  1.0
  F  F4  1  0.3823  0.3051  0.0570  1.0
  F  F5  1  0.4920  0.6295  0.3403  1.0
  F  F6  1  0.6444  0.2126  0.6835  1.0
  F  F7  1  0.7064  0.6847  0.0752  1.0
  F  F8  1  0.8713  0.3447  0.2789  1.0
]