data_Hf2MgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   134.32
_cell_angle_beta   134.32
_cell_angle_gamma   66.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgAu
_chemical_formula_sum   'Hf2 Mg1 Au1'
_cell_volume   80.12
_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  0.53  1.0
  Hf  Hf2  1  0.0  0.1  0.26  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.1  0.0  0.26  1.0

data_Hf2MgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.42
_cell_angle_alpha   112.84
_cell_angle_beta   112.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgAu
_chemical_formula_sum   'Hf2 Mg1 Au1'
_cell_volume   80.12
_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  0.47  0.0  0.47  1.0
  Hf  Hf1  1  0.84  0.1  0.84  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.74  0.0  0.84  1.0

Hf Hf Mg Au