data_[Tm16Ag4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.5876]
_cell_length_b [12.5395]
_cell_length_c [7.3304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Tm4AgIr2]
_chemical_formula_sum '[Tm16 Ag4 Ir8]'
_cell_volume [641.8353]
_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  0.0715  0.3226  0.7570  1.0
  Tm  Tm1  4  0.2439  0.7396  0.8842  1.0
  Tm  Tm2  4  0.3155  0.0779  0.7416  1.0
  Tm  Tm3  4  0.3616  0.4967  0.6151  1.0
  Ag  Ag4  4  0.1342  0.8766  0.5088  1.0
  Ir  Ir5  4  0.0555  0.4382  0.1101  1.0
  Ir  Ir6  4  0.4428  0.3147  0.8836  1.0
]