data_[Sc12Sn3Pd6Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7583]
_cell_length_b [4.7583]
_cell_length_c [23.3112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sc4SnPd2Rh]
_chemical_formula_sum '[Sc12 Sn3 Pd6 Rh3]'
_cell_volume [457.0948]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1316  1.0
  Sc  Sc1  6  0.0000  0.0000  0.3842  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  6  0.0000  0.0000  0.2559  1.0
  Rh  Rh4  3  -0.0000  -0.0000  0.5000  1.0
]