data_[Na6Cu2F14]
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 [Cm]
_cell_length_a [7.6309]
_cell_length_b [7.5725]
_cell_length_c [5.7778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na3CuF7]
_chemical_formula_sum '[Na6 Cu2 F14]'
_cell_volume [296.4792]
_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  0.4845  0.2796  0.4806  1.0
  Na  Na1  2  0.4877  0.0000  0.0089  1.0
  Cu  Cu2  2  0.4888  0.5000  0.9823  1.0
  F  F3  4  0.1363  0.1776  0.2089  1.0
  F  F4  4  0.3423  0.3185  0.7603  1.0
  F  F5  2  0.0003  0.5000  0.4033  1.0
  F  F6  2  0.1463  0.0000  0.7942  1.0
  F  F7  2  0.3259  0.5000  0.1617  1.0
]