data_[Tl2Cr4Ir2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.5091]
_cell_length_b [6.5938]
_cell_length_c [6.4769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TlCr2IrO8]
_chemical_formula_sum '[Tl2 Cr4 Ir2 O16]'
_cell_volume [277.9865]
_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
[
  Tl  Tl0  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  4  0.0000  0.5000  0.2446  1.0
  Ir  Ir2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0000  0.2036  0.2138  1.0
  O  O4  4  0.1760  0.5000  0.5000  1.0
  O  O5  4  0.2007  0.5000  0.0000  1.0
]