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 [8.5691]
_cell_length_b [12.5339]
_cell_length_c [7.3323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Tm4AgIr2]
_chemical_formula_sum '[Tm16 Ag4 Ir8]'
_cell_volume [640.6255]
_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  0.0713  0.6773  0.7568  1
  Tm  Tm1  4  0.2440  0.2608  0.8844  1
  Tm  Tm2  4  0.3156  0.0777  0.2417  1
  Tm  Tm3  4  0.3615  0.4964  0.1148  1
  Ag  Ag4  4  0.1342  0.1234  0.5089  1
  Ir  Ir5  4  0.0559  0.4383  0.6105  1
  Ir  Ir6  4  0.4426  0.3145  0.3831  1
]