data_HfZr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.57
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2Pd
_chemical_formula_sum   'Hf1 Zr2 Pd1'
_cell_volume   83.1
_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  0.33  0.0  0.82  1.0
  Zr  Zr2  1  0.1  0.28  0.35  1.0
  Zr  Zr3  1  0.8  0.28  0.28  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_HfZr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.57
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2Pd
_chemical_formula_sum   'Hf1 Zr2 Pd1'
_cell_volume   83.1
_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  0.33  0.0  0.82  1.0
  Zr  Zr1  1  0.1  0.28  0.35  1.0
  Zr  Zr2  1  0.8  0.28  0.28  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Hf Zr Zr Pd