data_[Na6Al9Cu3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0611]
_cell_length_b [7.0611]
_cell_length_c [16.6938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2Al3CuF12]
_chemical_formula_sum '[Na6 Al9 Cu3 F36]'
_cell_volume [720.8165]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3455  1.0
  Al  Al1  9  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  3  0.0000  0.0000  0.0000  1.0
  F  F3  18  0.0164  0.5082  0.3928  1.0
  F  F4  18  0.0829  0.5415  0.8290  1.0
]