data_HfPdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPdW2
_chemical_formula_sum   'Hf1 Pd1 W2'
_cell_volume   68.53
_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  0.75  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.37  0.24  0.39  1.0
  W  W3  1  0.37  0.76  0.39  1.0

data_HfPdW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   116.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPdW2
_chemical_formula_sum   'Hf1 Pd1 W2'
_cell_volume   68.53
_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  0.75  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.39  0.37  0.24  1.0
  W  W3  1  0.39  0.37  0.76  1.0

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