data_[Rb6In8I16]
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 [C2/m]
_cell_length_a [14.4452]
_cell_length_b [14.4572]
_cell_length_c [10.1040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.3545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3(InI2)4]
_chemical_formula_sum '[Rb6 In8 I16]'
_cell_volume [1508.7701]
_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  0.2500  0.2500  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  In  In2  4  0.2500  0.2500  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  In  In4  2  0.0000  0.0000  0.5000  1.0
  I  I5  4  0.0000  0.2226  0.0000  1.0
  I  I6  4  0.0000  0.2451  0.5000  1.0
  I  I7  4  0.2157  0.0000  0.4417  1.0
  I  I8  4  0.2195  0.0000  0.9910  1.0
]