data_[Ce4Tl2Cd2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [P2_1/m]
_cell_length_a [8.2127]
_cell_length_b [4.0972]
_cell_length_c [8.3371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2TlCdIr]
_chemical_formula_sum '[Ce4 Tl2 Cd2 Ir2]'
_cell_volume [263.2940]
_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
[
  Ce  Ce0  2  0.0063  0.7500  0.7135  1.0
  Ce  Ce1  2  0.3324  0.2500  0.1002  1.0
  Tl  Tl2  2  0.3200  0.2500  0.6985  1.0
  Cd  Cd3  2  0.3535  0.7500  0.4430  1.0
  Ir  Ir4  2  0.1038  0.7500  0.1154  1.0
]