data_[Tm16Cd4Ir2]
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 [C2/m]
_cell_length_a [17.3929]
_cell_length_b [5.2313]
_cell_length_c [6.8780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Cd2Ir]
_chemical_formula_sum '[Tm16 Cd4 Ir2]'
_cell_volume [587.6469]
_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
[
  Tm  Tm0  4  0.0201  0.0000  0.7873  1.0
  Tm  Tm1  4  0.0919  0.5000  0.4228  1.0
  Tm  Tm2  4  0.1528  0.5000  0.9547  1.0
  Tm  Tm3  4  0.1986  0.0000  0.2918  1.0
  Cd  Cd4  4  0.1808  0.0000  0.7057  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]