data_HfTiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiPd2
_chemical_formula_sum   'Hf1 Ti1 Pd2'
_cell_volume   67.53
_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  0.92  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.46  0.04  0.48  1.0
  Pd  Pd2  1  0.46  0.96  0.48  1.0

data_HfTiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   106.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiPd2
_chemical_formula_sum   'Hf1 Ti1 Pd2'
_cell_volume   67.53
_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  0.92  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.48  0.46  0.04  1.0
  Pd  Pd3  1  0.48  0.46  0.96  1.0

Hf Ti Pd Pd