data_[Tm16Sn4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1849]
_cell_length_b [4.9453]
_cell_length_c [6.5471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Sn2Ir]
_chemical_formula_sum '[Tm16 Sn4 Ir2]'
_cell_volume [596.7599]
_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  4  0.0220  0.0000  0.7880  1.0
  Tm  Tm1  4  0.0886  0.5000  0.4526  1.0
  Tm  Tm2  4  0.1452  0.5000  0.0007  1.0
  Tm  Tm3  4  0.2199  0.0000  0.3227  1.0
  Sn  Sn4  4  0.1815  0.0000  0.7573  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]