data_Mg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.43
_cell_length_b   10.43
_cell_length_c   10.43
_cell_angle_alpha   160.87
_cell_angle_beta   160.87
_cell_angle_gamma   27.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Au
_chemical_formula_sum   'Mg4 Au2'
_cell_volume   121.77
_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  Mg2  1  0.73  0.0  0.68  1.0
  Mg  Mg3  1  0.73  0.0  0.45  1.0
  Mg  Mg4  1  0.0  0.0  0.75  1.0
  Mg  Mg5  1  0.0  0.0  0.52  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.73  0.07  1.0

data_Mg2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   10.43
_cell_angle_alpha   99.57
_cell_angle_beta   99.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Au
_chemical_formula_sum   'Mg4 Au2'
_cell_volume   121.77
_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  Mg0  1  0.45  0.72  0.72  1.0
  Mg  Mg1  1  0.52  0.52  0.52  1.0
  Mg  Mg2  1  0.68  0.95  0.95  1.0
  Mg  Mg3  1  0.75  0.75  0.75  1.0
  Au  Au4  1  0.0  0.0  0.0  1.0
  Au  Au5  1  0.33  0.07  0.33  1.0

Mg Mg Mg Mg Au Au