data_[Sc16Ir4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [7.9577]
_cell_length_b [11.8925]
_cell_length_c [5.1894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Ir2Rh]
_chemical_formula_sum '[Sc16 Ir4 Rh2]'
_cell_volume [467.6081]
_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
[
  Sc  Sc0  8  0.2023  0.1241  0.0992  1
  Sc  Sc1  4  0.0000  0.2146  0.5000  1
  Sc  Sc2  4  0.1356  0.5000  0.3136  1
  Ir  Ir3  4  0.0000  0.3141  0.0000  1
  Rh  Rh4  2  0.0000  0.0000  0.5000  1
]