data_[Rb2Ba1Ir1F8]
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
  Ir  2.2000  1.3500  0.7650
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5042]
_cell_length_b [8.1594]
_cell_length_c [6.4153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Rb2BaIrF8]
_chemical_formula_sum '[Rb2 Ba1 Ir1 F8]'
_cell_volume [234.4466]
_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  2  0.5000  0.2383  0.5000  1.0
  Ba  Ba1  1  0.0000  0.5000  0.0000  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0877  0.1863  0.8132  1.0
  F  F4  2  0.3753  0.0000  0.1795  1.0
  F  F5  2  0.4803  0.5000  0.7662  1.0
]