data_[Rb1Ba2In1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6607]
_cell_length_b [10.4603]
_cell_length_c [7.7473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbBa2InI8]
_chemical_formula_sum '[Rb1 Ba2 In1 I8]'
_cell_volume [620.8087]
_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  0.0000  0.5000  0.0000  1.0
  Ba  Ba1  2  0.5000  0.2428  0.5000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2268  0.2020  0.8633  1.0
  I  I4  2  0.2250  0.0000  0.3302  1.0
  I  I5  2  0.2501  0.5000  0.3928  1.0
]