data_[Sc12Pd6Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4711]
_cell_length_b [7.1541]
_cell_length_c [11.0549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sc6Pd3Rh]
_chemical_formula_sum '[Sc12 Pd6 Rh2]'
_cell_volume [421.5406]
_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  4  0.0639  0.0538  0.2480  1
  Sc  Sc1  4  0.2080  0.6748  0.0638  1
  Sc  Sc2  4  0.4090  0.1645  0.0629  1
  Pd  Pd3  4  0.3098  0.1277  0.7487  1
  Pd  Pd4  2  0.5000  0.0000  0.5000  1
  Rh  Rh5  2  0.0000  0.0000  0.0000  1
]