data_[Tm9Ir24Rh3]
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 [R3m]
_cell_length_a [5.2927]
_cell_length_b [5.2927]
_cell_length_c [25.9452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm3Ir8Rh]
_chemical_formula_sum '[Tm9 Ir24 Rh3]'
_cell_volume [629.4227]
_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  3  0.0000  0.0000  0.0099  1
  Tm  Tm1  3  0.0000  0.0000  0.4927  1
  Tm  Tm2  3  0.0000  0.0000  0.6235  1
  Ir  Ir3  9  0.0010  0.5005  0.0612  1
  Ir  Ir4  9  0.0025  0.5012  0.5600  1
  Ir  Ir5  3  0.0000  0.0000  0.3107  1
  Ir  Ir6  3  0.0000  0.0000  0.8094  1
  Rh  Rh7  3  0.0000  0.0000  0.1403  1
]