data_[Na1Cu2Ni1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3593]
_cell_length_b [5.3627]
_cell_length_c [5.7311]
_cell_angle_alpha [64.4266]
_cell_angle_beta [63.1810]
_cell_angle_gamma [61.7298]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaCu2NiF6]
_chemical_formula_sum '[Na1 Cu2 Ni1 F6]'
_cell_volume [124.3825]
_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  0.1916  0.1850  0.4246  1.0
  Cu  Cu1  1  0.4761  0.4825  0.5610  1.0
  Cu  Cu2  1  0.9966  0.9834  0.0318  1.0
  Ni  Ni3  1  0.6757  0.6758  0.9681  1.0
  F  F4  1  0.0625  0.7665  0.7644  1.0
  F  F5  1  0.2991  0.5958  0.2611  1.0
  F  F6  1  0.3942  0.0539  0.7821  1.0
  F  F7  1  0.6282  0.8781  0.2243  1.0
  F  F8  1  0.7431  0.4297  0.7458  1.0
  F  F9  1  0.8713  0.2877  0.2216  1.0
]