data_[Tm8B16Ir20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.4851]
_cell_length_b [9.6888]
_cell_length_c [11.4386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tm2B4Ir5]
_chemical_formula_sum '[Tm8 B16 Ir20]'
_cell_volume [607.8911]
_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  8  0.0000  0.0000  0.1402  1.0
  B  B1  16  0.0000  0.1526  0.3655  1.0
  Ir  Ir2  8  0.2500  0.2500  0.0000  1.0
  Ir  Ir3  8  0.2500  0.2500  0.2500  1.0
  Ir  Ir4  4  0.0000  0.0000  0.5000  1.0
]