data_HfTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   3.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTeAu2
_chemical_formula_sum   'Hf1 Te1 Au2'
_cell_volume   86.14
_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  Hf2  1  0.77  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.39  0.05  0.89  1.0
  Au  Au1  1  0.39  0.95  0.89  1.0

data_HfTeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   111.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTeAu2
_chemical_formula_sum   'Hf1 Te1 Au2'
_cell_volume   86.14
_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  0.77  0.0  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.89  0.39  0.95  1.0
  Au  Au3  1  0.89  0.39  0.05  1.0

Hf Te Au Au