data_[Na6Ni2F14]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.3039]
_cell_length_b [7.8753]
_cell_length_c [5.7742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na3NiF7]
_chemical_formula_sum '[Na6 Ni2 F14]'
_cell_volume [294.0425]
_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  0.0148  0.2155  0.5191  1.0
  Na  Na1  2  0.0135  0.5000  0.9996  1.0
  Ni  Ni2  2  0.0129  0.0000  0.0200  1.0
  F  F3  4  0.1768  0.1815  0.2451  1.0
  F  F4  4  0.3445  0.3235  0.7891  1.0
  F  F5  2  0.1691  0.0000  0.8333  1.0
  F  F6  2  0.3599  0.5000  0.2116  1.0
  F  F7  2  0.4973  0.0000  0.5789  1.0
]