data_HfPd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33
_cell_length_b   9.33
_cell_length_c   9.33
_cell_angle_alpha   17.64
_cell_angle_beta   17.64
_cell_angle_gamma   17.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPd2Ru
_chemical_formula_sum   'Hf1 Pd2 Ru1'
_cell_volume   65.17
_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  0.0  0.78  1.0
  Pd  Pd1  1  0.0  0.0  0.61  1.0
  Pd  Pd2  1  0.0  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   Cm
_cell_length_a   4.96
_cell_length_b   2.86
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfPd2Ru
_chemical_formula_sum   'Hf2 Pd4 Ru2'
_cell_volume   130.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.22  1.0
  Pd  Pd1  2  -0.0  0.0  0.39  1.0
  Pd  Pd2  2  -0.0  0.0  0.05  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Hf Pd Pd Ru