data_[Cs8Nd4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.3738]
_cell_length_b [10.2456]
_cell_length_c [9.9410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cs2NdI5]
_chemical_formula_sum '[Cs8 Nd4 I20]'
_cell_volume [1565.8396]
_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  8  0.1695  0.5114  0.4096  1
  Nd  Nd1  4  0.0064  0.7500  0.9271  1
  I  I2  8  0.0574  0.0485  0.8343  1
  I  I3  4  0.0150  0.7500  0.6031  1
  I  I4  4  0.1846  0.7500  0.0868  1
  I  I5  4  0.1949  0.2500  0.1331  1
]