data_[Tm12Ir2Rh4]
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 [6.5057]
_cell_length_b [7.2324]
_cell_length_c [11.3535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6IrRh2]
_chemical_formula_sum '[Tm12 Ir2 Rh4]'
_cell_volume [447.6791]
_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  0.0857  0.5472  0.7433  1.0
  Tm  Tm1  4  0.2297  0.1738  0.5753  1.0
  Tm  Tm2  4  0.3915  0.6724  0.5659  1.0
  Ir  Ir3  2  0.5000  0.0000  0.5000  1.0
  Rh  Rh4  4  0.3114  0.6184  0.2672  1.0
]