data_Hf2MgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.26
_cell_length_b   10.26
_cell_length_c   10.26
_cell_angle_alpha   17.48
_cell_angle_beta   17.48
_cell_angle_gamma   17.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgAu
_chemical_formula_sum   'Hf2 Mg1 Au1'
_cell_volume   84.94
_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  0.88  1.0
  Hf  Hf2  1  0.0  0.0  0.41  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.15  1.0

data_Hf2MgAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   3.12
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2MgAu
_chemical_formula_sum   'Hf4 Mg2 Au2'
_cell_volume   169.88
_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  -0.0  0.0  0.59  1.0
  Hf  Hf1  2  0.0  0.0  0.12  1.0
  Mg  Mg2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.85  1.0

Hf Hf Mg Au