data_Hf2PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   145.63
_cell_angle_beta   135.06
_cell_angle_gamma   57.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PAu
_chemical_formula_sum   'Hf2 P1 Au1'
_cell_volume   74.44
_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  0.0  0.0  0.07  1.0
  Hf  Hf2  1  0.69  0.0  0.83  1.0
  P  P3  1  0.0  0.0  0.93  1.0
  Au  Au0  1  0.0  0.19  0.21  1.0

data_Hf2PAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.38
_cell_length_c   5.73
_cell_angle_alpha   112.47
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PAu
_chemical_formula_sum   'Hf2 P1 Au1'
_cell_volume   74.44
_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  0.07  0.07  1.0
  Hf  Hf1  1  0.0  0.83  0.14  1.0
  P  P2  1  0.0  0.93  0.93  1.0
  Au  Au3  1  0.81  0.02  0.02  1.0

Hf Hf P Au