data_[Rb6In2I8]
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 [Pmn2_1]
_cell_length_a [12.6457]
_cell_length_b [10.7829]
_cell_length_c [7.3584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Rb3InI4]
_chemical_formula_sum '[Rb6 In2 I8]'
_cell_volume [1003.3684]
_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  0.2471  0.6694  0.0603  1.0
  Rb  Rb1  2  0.0000  0.8406  0.5610  1.0
  In  In2  2  0.0000  0.1738  0.0537  1.0
  I  I3  4  0.2453  0.3272  0.0601  1.0
  I  I4  2  0.0000  0.1755  0.5989  1.0
  I  I5  2  0.0000  0.8504  0.0609  1.0
]