data_[Tm2B12Ir10]
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 [C2/m]
_cell_length_a [5.2696]
_cell_length_b [10.5317]
_cell_length_c [5.3973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmB6Ir5]
_chemical_formula_sum '[Tm2 B12 Ir10]'
_cell_volume [279.0226]
_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  2  0.0000  0.0000  0.0000  1
  B  B1  8  0.0883  0.1948  0.3710  1
  B  B2  4  0.0634  0.5000  0.1825  1
  Ir  Ir3  4  0.0000  0.3046  0.0000  1
  Ir  Ir4  4  0.0000  0.3740  0.5000  1
  Ir  Ir5  2  0.0000  0.0000  0.5000  1
]