data_[Rb10Nd4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6122]
_cell_length_b [8.9892]
_cell_length_c [11.9805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb5(NdI6)2]
_chemical_formula_sum '[Rb10 Nd4 I24]'
_cell_volume [2097.6768]
_cell_formula_units_Z [2]
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
[
  Rb  Rb0  4  0.1893  0.5000  0.8344  1
  Rb  Rb1  4  0.2099  0.5000  0.3573  1
  Rb  Rb2  2  0.0000  0.0000  0.5000  1
  Nd  Nd3  4  0.0000  0.2509  0.0000  1
  I  I4  8  0.1429  0.2757  0.5606  1
  I  I5  8  0.1578  0.2567  0.0727  1
  I  I6  4  0.0071  0.5000  0.1916  1
  I  I7  4  0.0088  0.0000  0.1879  1
]