data_YHfPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   137.2
_cell_angle_beta   137.2
_cell_angle_gamma   62.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfPd2
_chemical_formula_sum   'Y1 Hf1 Pd2'
_cell_volume   79.06
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.03  0.0  0.39  1.0
  Pd  Pd1  1  0.0  0.0  0.78  1.0
  Pd  Pd2  1  0.0  0.03  0.39  1.0

data_YHfPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.58
_cell_angle_alpha   111.4
_cell_angle_beta   111.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfPd2
_chemical_formula_sum   'Y1 Hf1 Pd2'
_cell_volume   79.06
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.61  0.0  0.65  1.0
  Pd  Pd2  1  0.22  0.0  0.22  1.0
  Pd  Pd3  1  0.65  0.03  0.65  1.0

Y Hf Pd Pd