data_[Tm6In2Ir2]
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 [P-1]
_cell_length_a [5.4689]
_cell_length_b [6.1407]
_cell_length_c [8.7164]
_cell_angle_alpha [100.9776]
_cell_angle_beta [99.5228]
_cell_angle_gamma [114.5472]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm3InIr]
_chemical_formula_sum '[Tm6 In2 Ir2]'
_cell_volume [251.3988]
_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  0.1989  0.7005  0.8970  1
  Tm  Tm1  2  0.2102  0.0551  0.2639  1
  Tm  Tm2  2  0.4558  0.3237  0.7218  1
  In  In3  2  0.1566  0.7541  0.5171  1
  Ir  Ir4  2  0.2554  0.2554  0.0008  1
]