data_[Na2Fe2Cu2F12]
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
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.8161]
_cell_length_b [4.8161]
_cell_length_c [9.6357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NaFeCuF6]
_chemical_formula_sum '[Na2 Fe2 Cu2 F12]'
_cell_volume [223.5016]
_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  2  0.0000  0.0000  0.0004  1
  Fe  Fe1  2  0.0000  0.0000  0.3319  1
  Cu  Cu2  2  0.0000  0.0000  0.6681  1
  F  F3  4  0.1806  0.8194  0.4911  1
  F  F4  4  0.2111  0.7889  0.1874  1
  F  F5  4  0.2243  0.7757  0.8212  1
]