data_[Cs1Nd1Ge2Br8]
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
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7597]
_cell_length_b [7.3922]
_cell_length_c [10.4121]
_cell_angle_alpha [94.2749]
_cell_angle_beta [91.1975]
_cell_angle_gamma [96.1093]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNd(GeBr4)2]
_chemical_formula_sum '[Cs1 Nd1 Ge2 Br8]'
_cell_volume [515.6736]
_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  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4435  0.5470  0.7950  1.0
  Br  Br3  2  0.2317  0.6810  0.9769  1.0
  Br  Br4  2  0.2330  0.1777  0.8087  1.0
  Br  Br5  2  0.2537  0.6048  0.6025  1.0
  Br  Br6  2  0.2747  0.1451  0.2125  1.0
]