data_HfRePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.68
_cell_angle_alpha   102.75
_cell_angle_beta   102.75
_cell_angle_gamma   35.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRePd2
_chemical_formula_sum   'Hf1 Re1 Pd2'
_cell_volume   66.21
_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  0.0  0.0  1.0
  Re  Re3  1  0.22  0.0  0.27  1.0
  Pd  Pd1  1  0.93  0.0  0.19  1.0
  Pd  Pd2  1  0.51  0.0  0.36  1.0

data_HfRePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.68
_cell_length_c   5.0
_cell_angle_alpha   102.75
_cell_angle_beta   107.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRePd2
_chemical_formula_sum   'Hf1 Re1 Pd2'
_cell_volume   66.21
_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  0.0  0.0  1.0
  Re  Re1  1  0.0  0.27  0.22  1.0
  Pd  Pd2  1  0.0  0.19  0.93  1.0
  Pd  Pd3  1  0.0  0.36  0.51  1.0

Hf Re Pd Pd