data_[Cs1Na2Cu2Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8836]
_cell_length_b [7.9261]
_cell_length_c [8.3538]
_cell_angle_alpha [116.9319]
_cell_angle_beta [113.6228]
_cell_angle_gamma [92.5028]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNa2(CuBr3)2]
_chemical_formula_sum '[Cs1 Na2 Cu2 Br6]'
_cell_volume [409.8637]
_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  0.4705  0.8065  0.6415  1.0
  Cu  Cu2  2  0.0625  0.1950  0.2839  1.0
  Br  Br3  2  0.2402  0.4234  0.2569  1.0
  Br  Br4  2  0.2609  0.0768  0.4810  1.0
  Br  Br5  2  0.2673  0.8492  0.8892  1.0
]