data_[Rb4Nd2Ag2I12]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4552]
_cell_length_b [8.8266]
_cell_length_c [14.5401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2NdAgI6]
_chemical_formula_sum '[Rb4 Nd2 Ag2 I12]'
_cell_volume [883.9166]
_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  0.2751  0.5765  0.7515  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.1669  0.5139  0.2570  1.0
  I  I4  4  0.2389  0.2032  0.0431  1.0
  I  I5  4  0.3462  0.6988  0.0458  1.0
]