data_[Pd3Ru1Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.7863]
_cell_length_b [2.7863]
_cell_length_c [22.8809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Pd3RuPt6]
_chemical_formula_sum '[Pd3 Ru1 Pt6]'
_cell_volume [153.8337]
_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
[
  Pd  Pd0  2  0.0000  0.0000  0.3028  1
  Pd  Pd1  1  0.0000  0.0000  0.0000  1
  Ru  Ru2  1  0.0000  0.0000  0.5000  1
  Pt  Pt3  2  0.3333  0.6667  0.1001  1
  Pt  Pt4  2  0.3333  0.6667  0.4045  1
  Pt  Pt5  2  0.3333  0.6667  0.7976  1
]