data_[Na8Cu4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_122]
_cell_length_a [6.3929]
_cell_length_b [6.3929]
_cell_length_c [9.7875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [Na2CuF4]
_chemical_formula_sum '[Na8 Cu4 F16]'
_cell_volume [400.0071]
_cell_formula_units_Z [4]
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  0.2356  0.2356  0.3750  1
  Na  Na1  4  0.2508  0.5000  0.7500  1
  Cu  Cu2  4  0.0000  0.2566  0.0000  1
  F  F3  8  0.0435  0.2169  0.7554  1
  F  F4  8  0.2176  0.4711  0.9955  1
]