data_[Na4Zn2Cu2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4684]
_cell_length_b [5.8250]
_cell_length_c [9.3812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2ZnCuF6]
_chemical_formula_sum '[Na4 Zn2 Cu2 F12]'
_cell_volume [245.8876]
_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  0.2725  0.0683  0.2548  1
  Zn  Zn1  2  0.5000  0.0000  0.0000  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  F  F3  4  0.1312  0.0359  0.7404  1
  F  F4  4  0.2720  0.6770  0.5621  1
  F  F5  4  0.3426  0.1863  0.5475  1
]