data_[Cs3Na2Cu1F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.2892]
_cell_length_b [6.2892]
_cell_length_c [7.8039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Na2CuF9]
_chemical_formula_sum '[Cs3 Na2 Cu1 F9]'
_cell_volume [267.3226]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.3333  0.6667  0.6798  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  Na  Na2  2  0.3333  0.6667  0.1741  1
  Cu  Cu3  1  0.0000  0.0000  0.5000  1
  F  F4  6  0.1445  0.2890  0.3592  1
  F  F5  3  0.0000  0.5000  0.0000  1
]