data_[Na4Fe2Ni2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6289]
_cell_length_b [5.7379]
_cell_length_c [5.5295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2FeNiF6]
_chemical_formula_sum '[Na4 Fe2 Ni2 F12]'
_cell_volume [251.3176]
_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  0.2498  0.5000  0.2796  1.0
  Fe  Fe1  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0632  0.2479  0.3055  1.0
  F  F4  4  0.2448  0.0000  0.1244  1.0
]