data_HfMoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   6.9
_cell_length_c   2.89
_cell_angle_alpha   80.32
_cell_angle_beta   75.71
_cell_angle_gamma   23.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMoAu
_chemical_formula_sum   'Hf1 Mo1 Au1'
_cell_volume   54.49
_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  0.83  0.24  0.9  1.0
  Mo  Mo2  1  0.83  0.24  0.42  1.0
  Au  Au0  1  0.83  0.24  0.27  1.0

data_HfMoAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.66
_cell_length_b   13.3
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   129.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMoAu
_chemical_formula_sum   'Hf2 Mo2 Au2'
_cell_volume   108.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.03  0.0  0.27  1.0
  Mo  Mo1  2  0.01  0.5  0.75  1.0
  Au  Au2  2  0.16  0.5  0.9  1.0

Hf Mo Au