data_[Tm8In4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1689]
_cell_length_b [5.4103]
_cell_length_c [8.1788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm2InIr2]
_chemical_formula_sum '[Tm8 In4 Ir8]'
_cell_volume [427.2959]
_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  0.1459  0.3396  0.1487  1.0
  In  In1  4  0.0000  0.1626  0.7500  1.0
  Ir  Ir2  8  0.1408  0.1552  0.5142  1.0
]