data_Hf2PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   37.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PAu
_chemical_formula_sum   'Hf2 P1 Au1'
_cell_volume   74.04
_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  0.86  0.0  0.48  1.0
  Hf  Hf2  1  0.0  0.0  0.17  1.0
  P  P3  1  0.0  0.0  0.8  1.0
  Au  Au0  1  0.86  0.0  0.55  1.0

data_Hf2PAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.73
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   108.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PAu
_chemical_formula_sum   'Hf2 P1 Au1'
_cell_volume   74.04
_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  0.52  0.86  0.52  1.0
  Hf  Hf1  1  0.83  0.0  0.83  1.0
  P  P2  1  0.2  0.0  0.2  1.0
  Au  Au3  1  0.45  0.86  0.45  1.0

Hf Hf P Au