data_[Sc24Al4Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.8788]
_cell_length_b [8.9766]
_cell_length_c [9.5904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc6AlPd2]
_chemical_formula_sum '[Sc24 Al4 Pd8]'
_cell_volume [764.3692]
_cell_formula_units_Z [4]
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  0.0000  0.2864  0.3269  1
  Sc  Sc1  8  0.1838  0.2826  0.0000  1
  Sc  Sc2  8  0.1978  0.0000  0.2405  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  Al  Al4  2  0.0000  0.0000  0.5000  1
  Pd  Pd5  4  0.0000  0.5000  0.1399  1
  Pd  Pd6  4  0.1596  0.5000  0.5000  1
]