data_[Zr2Al2Cu3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [P3m1]
_cell_length_a [4.2623]
_cell_length_b [4.2623]
_cell_length_c [8.1320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Zr2Al2Cu3Pd]
_chemical_formula_sum '[Zr2 Al2 Cu3 Pd1]'
_cell_volume [127.9428]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.7452  1
  Zr  Zr1  1  0.6667  0.3333  0.2547  1
  Al  Al2  1  0.3333  0.6667  0.5031  1
  Al  Al3  1  0.3333  0.6667  0.9973  1
  Cu  Cu4  1  0.0000  0.0000  0.4155  1
  Cu  Cu5  1  0.6667  0.3333  0.5895  1
  Cu  Cu6  1  0.6667  0.3333  0.9110  1
  Pd  Pd7  1  0.0000  0.0000  0.0838  1
]