data_[Na4Ni2Hg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6180]
_cell_length_b [5.8874]
_cell_length_c [9.9345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2NiHgF6]
_chemical_formula_sum '[Na4 Ni2 Hg2 F12]'
_cell_volume [270.8386]
_cell_formula_units_Z [2]
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  4  0.2705  0.5581  0.7558  1.0
  Ni  Ni1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.5000  0.0000  0.0000  1.0
  F  F3  4  0.0994  0.5706  0.2277  1.0
  F  F4  4  0.2467  0.2132  0.0801  1.0
  F  F5  4  0.3552  0.6739  0.0577  1.0
]