data_[Ca2Sc2Al8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [Amm2]
_cell_length_a [7.0161]
_cell_length_b [4.2512]
_cell_length_c [9.8895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaSc(Al2Pd)2]
_chemical_formula_sum '[Ca2 Sc2 Al8 Pd4]'
_cell_volume [294.9697]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.5699  1
  Sc  Sc1  2  0.5000  0.0000  0.4288  1
  Al  Al2  4  0.2024  0.0000  0.8583  1
  Al  Al3  4  0.3085  0.0000  0.1434  1
  Pd  Pd4  2  0.0000  0.0000  0.2878  1
  Pd  Pd5  2  0.5000  0.0000  0.7102  1
]