data_[Al4Cu4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [7.3590]
_cell_length_b [4.1624]
_cell_length_c [5.1512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2Cu2Pd]
_chemical_formula_sum '[Al4 Cu4 Pd2]'
_cell_volume [136.6113]
_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
[
  Al  Al0  4  0.0999  0.0000  0.8050  1.0
  Cu  Cu1  4  0.1990  0.5000  0.6015  1.0
  Pd  Pd2  2  0.0000  0.5000  0.0000  1.0
]