data_[Na2Gd2Cu4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Gd  1.2000  1.8000  1.0750
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [5.4807]
_cell_length_b [5.4807]
_cell_length_c [10.4127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [97]
_chemical_formula_structural [NaGdCu2F8]
_chemical_formula_sum '[Na2 Gd2 Cu4 F16]'
_cell_volume [312.7732]
_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  2  0.0000  0.0000  0.5000  1.0
  Gd  Gd1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.5000  0.2500  1.0
  F  F3  16  0.1681  0.6881  0.8771  1.0
]