data_[Cs4Nd2I8]
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 [Pbam]
_cell_length_a [9.7221]
_cell_length_b [16.4201]
_cell_length_c [4.5366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Cs2NdI4]
_chemical_formula_sum '[Cs4 Nd2 I8]'
_cell_volume [724.2163]
_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
[
  Cs  Cs0  4  0.0808  0.1660  0.5000  1.0
  Nd  Nd1  2  0.0000  0.5000  0.0000  1.0
  I  I2  4  0.1067  0.6838  0.0000  1.0
  I  I3  4  0.2303  0.4545  0.5000  1.0
]