data_[Tm12Ir2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7066]
_cell_length_b [7.7057]
_cell_length_c [12.1235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6IrAu3]
_chemical_formula_sum '[Tm12 Ir2 Au6]'
_cell_volume [525.6201]
_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  0.0799  0.0490  0.2425  1
  Tm  Tm1  4  0.2195  0.6894  0.0699  1
  Tm  Tm2  4  0.4096  0.1654  0.0731  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.3029  0.1155  0.7440  1
  Au  Au5  2  0.5000  0.0000  0.5000  1
]