data_[Na2Al1Cu1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4687]
_cell_length_b [5.5628]
_cell_length_c [5.5827]
_cell_angle_alpha [100.7700]
_cell_angle_beta [112.4682]
_cell_angle_gamma [112.3699]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2AlCuF6]
_chemical_formula_sum '[Na2 Al1 Cu1 F6]'
_cell_volume [133.7068]
_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  2  0.0088  0.7843  0.7257  1.0
  Al  Al1  1  0.5000  0.0000  0.5000  1.0
  Cu  Cu2  1  0.5000  0.5000  0.0000  1.0
  F  F3  2  0.1478  0.6761  0.3682  1.0
  F  F4  2  0.3219  0.0715  0.1937  1.0
  F  F5  2  0.3531  0.1873  0.6798  1.0
]