data_[Rb6In4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.1075]
_cell_length_b [6.1075]
_cell_length_c [30.9207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Rb3In2I7]
_chemical_formula_sum '[Rb6 In4 I14]'
_cell_volume [1153.3938]
_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  0.0000  0.0000  0.3206  1
  Rb  Rb1  2  0.0000  0.0000  0.5000  1
  In  In2  4  0.0000  0.0000  0.1028  1
  I  I3  8  0.0000  0.5000  0.0987  1
  I  I4  4  0.0000  0.0000  0.2018  1
  I  I5  2  0.0000  0.0000  0.0000  1
]