data_[Rb1Ti1In1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [8.4320]
_cell_length_b [8.4320]
_cell_length_c [6.9429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [RbTiInI6]
_chemical_formula_sum '[Rb1 Ti1 In1 I6]'
_cell_volume [427.4960]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.5000  1.0
  Ti  Ti1  1  0.6667  0.3333  0.5000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  I  I3  6  0.3951  0.0734  0.2631  1.0
]