data_[Cs2Tl4Ir2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.2121]
_cell_length_b [9.4596]
_cell_length_c [7.8498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CsTl2IrF6]
_chemical_formula_sum '[Cs2 Tl4 Ir2 F12]'
_cell_volume [461.2890]
_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
[
  Cs  Cs0  2  0.0000  0.5000  0.6638  1.0
  Tl  Tl1  4  0.0000  0.2962  0.1625  1.0
  Ir  Ir2  2  0.0000  0.0000  0.8244  1.0
  F  F3  4  0.0000  0.2166  0.8259  1.0
  F  F4  4  0.2424  0.0000  0.6502  1.0
  F  F5  4  0.2448  0.0000  0.0012  1.0
]