data_HfNbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   134.66
_cell_angle_beta   134.66
_cell_angle_gamma   66.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbPd2
_chemical_formula_sum   'Hf1 Nb1 Pd2'
_cell_volume   69.53
_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  1.0  0.17  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  1.0  0.0  0.17  1.0
  Pd  Pd3  1  0.0  0.0  0.35  1.0

data_HfNbPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   123.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNbPd2
_chemical_formula_sum   'Hf2 Nb2 Pd4'
_cell_volume   139.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.32  0.5  0.82  1.0
  Nb  Nb1  2  0.5  0.5  0.0  1.0
  Pd  Pd2  2  0.15  0.5  0.65  1.0
  Pd  Pd3  2  0.32  0.5  0.82  1.0

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