data_[Nd4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [14.8887]
_cell_length_b [12.5406]
_cell_length_c [6.9216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd(CuBr3)2]
_chemical_formula_sum '[Nd4 Cu8 Br24]'
_cell_volume [1275.9622]
_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
[
  Nd  Nd0  4  0.0000  0.1052  0.7500  1.0
  Cu  Cu1  8  0.1200  0.4295  0.7644  1.0
  Br  Br2  8  0.1121  0.0677  0.1235  1.0
  Br  Br3  8  0.1231  0.4076  0.1057  1.0
  Br  Br4  8  0.1273  0.2577  0.6280  1.0
]