data_[Tm2Si6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5441]
_cell_length_b [5.5162]
_cell_length_c [5.8210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmSi3Ir]
_chemical_formula_sum '[Tm2 Si6 Ir2]'
_cell_volume [173.6226]
_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  0.3979  0.7500  0.1632  1
  Si  Si1  4  0.0981  0.5206  0.7035  1
  Si  Si2  2  0.4718  0.7500  0.6631  1
  Ir  Ir3  2  0.1396  0.2500  0.0397  1
]