data_[Tl2Cd2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3024]
_cell_length_b [3.0056]
_cell_length_c [5.1937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCdIr2]
_chemical_formula_sum '[Tl2 Cd2 Ir4]'
_cell_volume [142.6897]
_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
  Cd  Cd1  2  0.0000  0.5000  0.0000  1
  Ir  Ir2  4  0.2497  0.5000  0.7663  1
]