data_[Sc2Al1Ir1Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3196]
_cell_length_b [4.3196]
_cell_length_c [6.5519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sc2AlIrRh4]
_chemical_formula_sum '[Sc2 Al1 Ir1 Rh4]'
_cell_volume [122.2489]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Sc  Sc1  1  0.5000  0.5000  0.5000  1
  Al  Al2  1  0.5000  0.5000  0.0000  1
  Ir  Ir3  1  0.0000  0.0000  0.5000  1
  Rh  Rh4  4  0.0000  0.5000  0.2339  1
]