data_HfBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   3.33
_cell_angle_alpha   108.18
_cell_angle_beta   108.18
_cell_angle_gamma   118.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBPd2
_chemical_formula_sum   'Hf1 B1 Pd2'
_cell_volume   61.48
_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  Hf1  1  0.63  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.3  0.78  0.32  1.0
  Pd  Pd3  1  0.3  0.22  0.32  1.0

data_HfBPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.16
_cell_length_c   5.16
_cell_angle_alpha   113.27
_cell_angle_beta   108.18
_cell_angle_gamma   91.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBPd2
_chemical_formula_sum   'Hf1 B1 Pd2'
_cell_volume   61.48
_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  0.63  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.1  0.78  0.08  1.0
  Pd  Pd3  1  0.54  0.22  0.52  1.0

Hf B Pd Pd