data_[Cs4Nd4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  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 [10.6727]
_cell_length_b [14.5277]
_cell_length_c [9.3625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsNd(CuBr3)2]
_chemical_formula_sum '[Cs4 Nd4 Cu8 Br24]'
_cell_volume [1377.2203]
_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
[
  Cs  Cs0  4  0.0000  0.1419  0.7500  1.0
  Nd  Nd1  4  0.0000  0.4406  0.2500  1.0
  Cu  Cu2  8  0.2451  0.1317  0.2417  1.0
  Br  Br3  8  0.0283  0.3867  0.5709  1.0
  Br  Br4  8  0.1825  0.2800  0.2770  1.0
  Br  Br5  8  0.2136  0.0034  0.0898  1.0
]