data_[Sc3Al3Cu1Pd2]
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
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1062]
_cell_length_b [7.1062]
_cell_length_c [3.5788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Sc3Al3CuPd2]
_chemical_formula_sum '[Sc3 Al3 Cu1 Pd2]'
_cell_volume [156.5127]
_cell_formula_units_Z [1]
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  3  0.0000  0.5919  0.5000  1
  Al  Al1  3  0.0000  0.2483  0.0000  1
  Cu  Cu2  1  0.0000  0.0000  0.5000  1
  Pd  Pd3  2  0.3333  0.6667  0.0000  1
]