data_[Na4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [14.6407]
_cell_length_b [12.3417]
_cell_length_c [6.5915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na(CuBr3)2]
_chemical_formula_sum '[Na4 Cu8 Br24]'
_cell_volume [1108.4300]
_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  0.1357  0.7500  1
  Cu  Cu1  8  0.2047  0.4168  0.7195  1
  Br  Br2  8  0.1215  0.2579  0.5522  1
  Br  Br3  8  0.1266  0.0799  0.2206  1
  Br  Br4  8  0.1334  0.4270  0.9828  1
]