data_[Na10Cu2F12]
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 [C2/m]
_cell_length_a [5.6697]
_cell_length_b [10.1244]
_cell_length_c [5.6607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5CuF6]
_chemical_formula_sum '[Na10 Cu2 F12]'
_cell_volume [311.9536]
_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  0.0000  0.1648  0.5000  1.0
  Na  Na1  4  0.0000  0.3266  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  F  F4  8  0.2317  0.3291  0.7347  1.0
  F  F5  4  0.2250  0.0000  0.7769  1.0
]