data_HfGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2Au
_chemical_formula_sum   'Hf1 Ge2 Au1'
_cell_volume   75.78
_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  0.0  1.0
  Ge  Ge1  1  0.09  0.0  0.89  1.0
  Ge  Ge2  1  0.09  0.0  0.73  1.0
  Au  Au0  1  0.0  0.0  0.31  1.0

data_HfGe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2Au
_chemical_formula_sum   'Hf1 Ge2 Au1'
_cell_volume   75.78
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.09  0.0  0.73  1.0
  Ge  Ge2  1  0.09  0.0  0.89  1.0
  Au  Au3  1  0.0  0.0  0.31  1.0

Hf Ge Ge Au