data_[Na8Cd4Cu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1032]
_cell_length_b [17.7903]
_cell_length_c [13.7307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2CdCuBr5]
_chemical_formula_sum '[Na8 Cd4 Cu4 Br20]'
_cell_volume [1002.3002]
_cell_formula_units_Z [4]
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  4  0.0000  0.0867  0.6587  1.0
  Na  Na1  4  0.0000  0.1230  0.3352  1.0
  Cd  Cd2  4  0.0000  0.2173  0.0336  1.0
  Cu  Cu3  4  0.0000  0.4448  0.4269  1.0
  Br  Br4  4  0.0000  0.0580  0.0257  1.0
  Br  Br5  4  0.0000  0.2751  0.6744  1.0
  Br  Br6  4  0.0000  0.2948  0.3916  1.0
  Br  Br7  4  0.0000  0.3713  0.0078  1.0
  Br  Br8  4  0.0000  0.4963  0.7701  1.0
]