data_HfPd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   130.55
_cell_angle_beta   130.55
_cell_angle_gamma   72.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPd2Ru
_chemical_formula_sum   'Hf1 Pd2 Ru1'
_cell_volume   64.21
_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
  Hf  Hf0  1  0.0  0.03  0.95  1.0
  Pd  Pd1  1  0.0  0.0  0.91  1.0
  Pd  Pd2  1  0.03  0.0  0.95  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_HfPd2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   4.85
_cell_angle_alpha   114.72
_cell_angle_beta   114.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPd2Ru
_chemical_formula_sum   'Hf1 Pd2 Ru1'
_cell_volume   64.21
_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
  Hf  Hf0  1  0.07  0.03  0.07  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.05  0.0  0.07  1.0
  Pd  Pd3  1  0.09  0.0  0.09  1.0

Hf Pd Pd Ru