data_[Sc16Ir4Pd2]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0112]
_cell_length_b [11.9994]
_cell_length_c [5.1471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Ir2Pd]
_chemical_formula_sum '[Sc16 Ir4 Pd2]'
_cell_volume [473.9749]
_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  0.2014  0.1300  0.0931  1
  Sc  Sc1  4  0.0000  0.2300  0.5000  1
  Sc  Sc2  4  0.1293  0.5000  0.3149  1
  Ir  Ir3  4  0.0000  0.3085  0.0000  1
  Pd  Pd4  2  0.0000  0.0000  0.5000  1
]