data_HfNi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   132.93
_cell_angle_beta   132.93
_cell_angle_gamma   68.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Pd
_chemical_formula_sum   'Hf1 Ni2 Pd1'
_cell_volume   56.87
_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  0.9  0.97  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.9  0.0  0.97  1.0
  Pd  Pd3  1  0.0  0.0  0.93  1.0

data_HfNi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   4.76
_cell_angle_alpha   113.54
_cell_angle_beta   113.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Pd
_chemical_formula_sum   'Hf1 Ni2 Pd1'
_cell_volume   56.87
_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  0.06  0.97  0.06  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.97  0.06  0.06  1.0
  Pd  Pd3  1  0.93  0.93  0.93  1.0

Hf Ni Ni Pd
Hf Ni Ni Pd 0 1 o + + 1 2 - o - 1 3 o o - 