data_HfAg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   127.7
_cell_angle_beta   127.7
_cell_angle_gamma   77.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAg2Au
_chemical_formula_sum   'Hf1 Ag2 Au1'
_cell_volume   73.76
_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  Hf3  1  0.0  0.0  0.87  1.0
  Ag  Ag0  1  0.18  0.0  0.94  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.18  0.94  1.0

data_HfAg2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.95
_cell_angle_alpha   116.15
_cell_angle_beta   116.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAg2Au
_chemical_formula_sum   'Hf1 Ag2 Au1'
_cell_volume   73.76
_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  0.13  0.0  0.13  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.06  0.0  0.25  1.0
  Au  Au3  1  0.25  0.18  0.25  1.0

Hf Ag Ag Au
Hf Ag Ag Au 0 3 o o o 0 1 o o o 0 2 o o + 