data_[Na2Pr2Cu4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.5854]
_cell_length_b [5.5854]
_cell_length_c [10.6291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [NaPrCu2F8]
_chemical_formula_sum '[Na2 Pr2 Cu4 F16]'
_cell_volume [331.5935]
_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  0.0000  1.0
  Pr  Pr1  2  0.0000  0.5000  0.7500  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu3  2  0.0000  0.5000  0.2500  1.0
  F  F4  8  0.1380  0.2930  0.5604  1.0
  F  F5  8  0.1482  0.7894  0.1952  1.0
]