data_[Tm6Tl4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4299]
_cell_length_b [7.1227]
_cell_length_c [8.9719]
_cell_angle_alpha [70.9468]
_cell_angle_beta [74.5254]
_cell_angle_gamma [84.0770]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm3Tl2Ir]
_chemical_formula_sum '[Tm6 Tl4 Ir2]'
_cell_volume [316.0474]
_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  0.1158  0.0734  0.7888  1.0
  Tm  Tm1  2  0.1782  0.6267  0.7093  1.0
  Tm  Tm2  2  0.3946  0.2701  0.0278  1.0
  Tl  Tl3  2  0.2811  0.5721  0.3499  1.0
  Tl  Tl4  2  0.2920  0.0342  0.3957  1.0
  Ir  Ir5  2  0.0929  0.6805  0.0174  1.0
]