data_[Tm16Ir4Rh2]
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 [C2/m]
_cell_length_a [17.0989]
_cell_length_b [4.8123]
_cell_length_c [6.7792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Ir2Rh]
_chemical_formula_sum '[Tm16 Ir4 Rh2]'
_cell_volume [532.0544]
_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  0.0312  0.0000  0.7900  1.0
  Tm  Tm1  4  0.0965  0.5000  0.4563  1.0
  Tm  Tm2  4  0.1679  0.5000  0.9635  1.0
  Tm  Tm3  4  0.2039  0.0000  0.3107  1.0
  Ir  Ir4  4  0.1852  0.0000  0.7018  1.0
  Rh  Rh5  2  0.0000  0.5000  0.0000  1.0
]