data_HfSnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   3.04
_cell_angle_alpha   102.35
_cell_angle_beta   102.35
_cell_angle_gamma   112.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnPd2
_chemical_formula_sum   'Hf1 Sn1 Pd2'
_cell_volume   74.54
_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  0.97  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.9  0.76  0.4  1.0
  Pd  Pd2  1  0.9  0.24  0.4  1.0

data_HfSnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   112.85
_cell_angle_beta   102.35
_cell_angle_gamma   102.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnPd2
_chemical_formula_sum   'Hf1 Sn1 Pd2'
_cell_volume   74.54
_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  0.97  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.4  0.9  0.24  1.0
  Pd  Pd3  1  0.4  0.9  0.76  1.0

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