data_[Cs1Nd1Cd2Br8]
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
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0948]
_cell_length_b [7.2315]
_cell_length_c [10.1423]
_cell_angle_alpha [73.2921]
_cell_angle_beta [76.1531]
_cell_angle_gamma [74.6886]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNd(CdBr4)2]
_chemical_formula_sum '[Cs1 Nd1 Cd2 Br8]'
_cell_volume [473.1198]
_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  0.0000  0.0000  0.5000  1
  Nd  Nd1  1  0.0000  0.0000  0.0000  1
  Cd  Cd2  2  0.4575  0.4438  0.7163  1
  Br  Br3  2  0.1625  0.7015  0.2338  1
  Br  Br4  2  0.2594  0.7920  0.7958  1
  Br  Br5  2  0.2850  0.2385  0.9682  1
  Br  Br6  2  0.3919  0.2830  0.5304  1
]