data_[Rb1Ba2Y1I8]
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
  Y  1.2200  1.8000  1.0400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6714]
_cell_length_b [10.5197]
_cell_length_c [7.8985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbBa2YI8]
_chemical_formula_sum '[Rb1 Ba2 Y1 I8]'
_cell_volume [637.4045]
_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  0.2470  0.5000  1.0
  Y  Y2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2319  0.2067  0.8554  1.0
  I  I4  2  0.2318  0.0000  0.3252  1.0
  I  I5  2  0.2483  0.5000  0.3879  1.0
]