data_[Ni2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.2176]
_cell_length_b [5.2897]
_cell_length_c [7.6757]
_cell_angle_alpha [107.7698]
_cell_angle_beta [98.9290]
_cell_angle_gamma [90.3574]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NiF3]
_chemical_formula_sum '[Ni2 F6]'
_cell_volume [122.7022]
_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
[
  Ni  Ni0  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  1  0.5000  0.5000  0.0000  1.0
  F  F2  2  0.0542  0.3940  0.1320  1.0
  F  F3  2  0.2282  0.5150  0.5329  1.0
  F  F4  2  0.4503  0.1046  0.8646  1.0
]