data_[Rb2Nd4I14]
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 [Cmmm]
_cell_length_a [9.9973]
_cell_length_b [16.0372]
_cell_length_c [6.2197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [RbNd2I7]
_chemical_formula_sum '[Rb2 Nd4 I14]'
_cell_volume [997.2014]
_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  2  0.0000  0.0000  0.0000  1
  Nd  Nd1  4  0.0000  0.3018  0.5000  1
  I  I2  8  0.1876  0.1380  0.5000  1
  I  I3  4  0.0000  0.2939  0.0000  1
  I  I4  2  0.0000  0.5000  0.5000  1
]