data_[Cs1Na2Cu2I6]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.9847]
_cell_length_b [8.5032]
_cell_length_c [9.0732]
_cell_angle_alpha [62.9519]
_cell_angle_beta [66.7531]
_cell_angle_gamma [89.6100]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNa2(CuI3)2]
_chemical_formula_sum '[Cs1 Na2 Cu2 I6]'
_cell_volume [492.7577]
_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  1  0.5000  0.5000  0.0000  1.0
  Na  Na1  2  0.4784  0.8046  0.3545  1.0
  Cu  Cu2  2  0.0828  0.2247  0.6985  1.0
  I  I3  2  0.2261  0.4573  0.7385  1.0
  I  I4  2  0.2548  0.0975  0.4960  1.0
  I  I5  2  0.2658  0.8656  0.1027  1.0
]