data_HfSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.78
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSb2Au
_chemical_formula_sum   'Hf1 Sb2 Au1'
_cell_volume   88.92
_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  0.0  1.0
  Sb  Sb2  1  0.93  0.89  0.53  1.0
  Sb  Sb3  1  0.79  0.89  0.68  1.0
  Au  Au0  1  0.96  0.0  0.11  1.0

data_HfSb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.79
_cell_length_c   6.21
_cell_angle_alpha   90.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSb2Au
_chemical_formula_sum   'Hf1 Sb2 Au1'
_cell_volume   88.92
_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
  Sb  Sb1  1  0.11  0.07  0.47  1.0
  Sb  Sb2  1  0.11  0.21  0.32  1.0
  Au  Au3  1  0.0  0.04  0.89  1.0

Hf Sb Sb Au