data_[Na4Zr2Cu2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  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 [7.4684]
_cell_length_b [6.9526]
_cell_length_c [6.8684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2ZrCuF8]
_chemical_formula_sum '[Na4 Zr2 Cu2 F16]'
_cell_volume [355.6575]
_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  0.0169  0.5000  0.7643  1.0
  Zr  Zr1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0000  0.2664  0.0000  1.0
  F  F4  4  0.0000  0.2914  0.5000  1.0
  F  F5  4  0.1579  0.0000  0.2594  1.0
  F  F6  4  0.2082  0.0000  0.7055  1.0
]