data_[Cu2Ag1Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.7601]
_cell_length_b [2.7601]
_cell_length_c [20.7448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Cu2AgPd6]
_chemical_formula_sum '[Cu2 Ag1 Pd6]'
_cell_volume [136.8676]
_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
[
  Cu  Cu0  2  0.3333  0.6667  0.3332  1
  Ag  Ag1  1  0.0000  0.0000  0.0000  1
  Pd  Pd2  2  0.0000  0.0000  0.2307  1
  Pd  Pd3  2  0.0000  0.0000  0.4354  1
  Pd  Pd4  2  0.3333  0.6667  0.8834  1
]