data_[Tm6Si9Ni36Ir3]
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
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4268]
_cell_length_b [8.4268]
_cell_length_c [11.7353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm2Si3Ni12Ir]
_chemical_formula_sum '[Tm6 Si9 Ni36 Ir3]'
_cell_volume [721.6833]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3109  1
  Si  Si1  9  0.0000  0.5000  0.5000  1
  Ni  Ni2  18  0.0025  0.5012  0.6952  1
  Ni  Ni3  18  0.0056  0.5028  0.1074  1
  Ir  Ir4  3  0.0000  0.0000  0.0000  1
]