data_[Tm16Ir4Rh8]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [8.4509]
_cell_length_b [8.4674]
_cell_length_c [8.4739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [24]
_chemical_formula_structural [Tm4IrRh2]
_chemical_formula_sum '[Tm16 Ir4 Rh8]'
_cell_volume [606.3721]
_cell_formula_units_Z [4]
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  8  0.0662  0.0640  0.5653  1.0
  Tm  Tm1  8  0.1855  0.3135  0.1876  1.0
  Ir  Ir2  4  0.1205  0.0000  0.2500  1.0
  Rh  Rh3  4  0.0000  0.2500  0.8759  1.0
  Rh  Rh4  4  0.2500  0.3834  0.5000  1.0
]