data_[Tm16Cd4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.4243]
_cell_length_b [14.6302]
_cell_length_c [6.8321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.8241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Tm4CdIr2]
_chemical_formula_sum '[Tm16 Cd4 Ir8]'
_cell_volume [665.1377]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  4  0.0916  0.2878  0.2735  1.0
  Tm  Tm1  4  0.2518  0.2706  0.9212  1.0
  Tm  Tm2  4  0.3161  0.4961  0.5439  1.0
  Tm  Tm3  4  0.3288  0.0699  0.2523  1.0
  Cd  Cd4  4  0.1478  0.1156  0.5592  1.0
  Ir  Ir5  4  0.0319  0.4062  0.5600  1.0
  Ir  Ir6  4  0.4564  0.3483  0.3899  1.0
]