data_SrHf2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   3.2
_cell_angle_alpha   103.47
_cell_angle_beta   103.47
_cell_angle_gamma   124.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Au
_chemical_formula_sum   'Sr1 Hf2 Au1'
_cell_volume   98.45
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.72  0.08  0.38  1.0
  Hf  Hf2  1  0.72  0.92  0.38  1.0
  Au  Au0  1  0.05  0.0  0.0  1.0

data_SrHf2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.27
_cell_length_c   6.58
_cell_angle_alpha   113.2
_cell_angle_beta   103.47
_cell_angle_gamma   91.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Au
_chemical_formula_sum   'Sr1 Hf2 Au1'
_cell_volume   98.45
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.3  0.92  0.64  1.0
  Hf  Hf2  1  0.47  0.08  0.8  1.0
  Au  Au3  1  -0.0  0.0  0.05  1.0

Sr Hf Hf Au