data_[Rb2In2I6]
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 [P1]
_cell_length_a [5.8377]
_cell_length_b [9.7848]
_cell_length_c [10.0870]
_cell_angle_alpha [63.9955]
_cell_angle_beta [85.5759]
_cell_angle_gamma [85.7705]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbInI3]
_chemical_formula_sum '[Rb2 In2 I6]'
_cell_volume [515.7839]
_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  1  0.0851  0.6762  0.1700  1.0
  Rb  Rb1  1  0.4669  0.1698  0.6701  1.0
  In  In2  1  0.0732  0.6056  0.7704  1.0
  In  In3  1  0.2830  0.0590  0.2798  1.0
  I  I4  1  0.0020  0.9855  0.5368  1.0
  I  I5  1  0.0647  0.1256  0.0229  1.0
  I  I6  1  0.4982  0.3170  0.2365  1.0
  I  I7  1  0.5375  0.7891  0.3572  1.0
  I  I8  1  0.6207  0.7505  0.9004  1.0
  I  I9  1  0.9454  0.4328  0.5776  1.0
]