data_[Tm12Ir4Rh2]
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 [P2_1/c]
_cell_length_a [6.5304]
_cell_length_b [7.2826]
_cell_length_c [11.1761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6Ir2Rh]
_chemical_formula_sum '[Tm12 Ir4 Rh2]'
_cell_volume [445.3940]
_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  0.0822  0.0463  0.2424  1
  Tm  Tm1  4  0.2294  0.6735  0.0746  1
  Tm  Tm2  4  0.3889  0.1708  0.0639  1
  Ir  Ir3  4  0.3086  0.1210  0.7670  1
  Rh  Rh4  2  0.5000  0.0000  0.5000  1
]