data_Mg3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   51.65
_cell_angle_beta   51.65
_cell_angle_gamma   51.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Au2
_chemical_formula_sum   'Mg6 Au4'
_cell_volume   216.53
_cell_formula_units_Z   2
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
  Mg  Mg4  1  0.06  0.72  0.97  1.0
  Mg  Mg5  1  0.22  0.46  0.97  1.0
  Mg  Mg6  1  0.73  0.82  0.97  1.0
  Mg  Mg7  1  0.27  0.18  0.83  1.0
  Mg  Mg8  1  0.78  0.54  0.83  1.0
  Mg  Mg9  1  0.94  0.28  0.83  1.0
  Au  Au0  1  0.0  0.0  0.47  1.0
  Au  Au1  1  0.0  0.0  0.72  1.0
  Au  Au2  1  0.0  0.0  0.07  1.0
  Au  Au3  1  0.0  0.0  0.32  1.0

data_Mg3Au2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   7.25
_cell_angle_alpha   64.17
_cell_angle_beta   64.17
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg3Au2
_chemical_formula_sum   'Mg6 Au4'
_cell_volume   216.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Mg  Mg0  2  0.18  0.93  0.12  1.0
  Mg  Mg1  2  0.28  0.93  0.34  1.0
  Mg  Mg2  2  0.46  0.07  0.76  1.0
  Au  Au3  2  0.0  0.18  0.32  1.0
  Au  Au4  2  0.0  0.43  0.07  1.0

Mg Mg Mg Mg Mg Mg Au Au Au Au