data_[Rb6Ir2Cl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9013]
_cell_length_b [7.9656]
_cell_length_c [4.9109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Ir(ClF3)2]
_chemical_formula_sum '[Rb6 Ir2 Cl4 F12]'
_cell_volume [622.0104]
_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  0.2500  0.2500  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.0000  1
  Ir  Ir2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  4  0.1966  0.5000  0.9894  1
  F  F4  8  0.0442  0.1756  0.2728  1
  F  F5  4  0.1065  0.0000  0.6883  1
]