data_MgGa2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.0
_cell_angle_alpha   98.82
_cell_angle_beta   98.82
_cell_angle_gamma   39.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2Au
_chemical_formula_sum   'Mg1 Ga2 Au1'
_cell_volume   73.33
_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
  Mg  Mg3  1  0.1  0.0  0.42  1.0
  Ga  Ga1  1  0.21  0.0  0.92  1.0
  Ga  Ga2  1  0.65  0.0  0.72  1.0
  Au  Au0  1  0.64  0.0  0.27  1.0

data_MgGa2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.83
_cell_length_c   5.0
_cell_angle_alpha   98.82
_cell_angle_beta   90.0
_cell_angle_gamma   109.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2Au
_chemical_formula_sum   'Mg1 Ga2 Au1'
_cell_volume   73.33
_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
  Mg  Mg0  1  0.0  0.9  0.58  1.0
  Ga  Ga1  1  0.0  0.35  0.28  1.0
  Ga  Ga2  1  0.0  0.79  0.08  1.0
  Au  Au3  1  0.0  0.36  0.73  1.0

Mg Ga Ga Au
Mg Ga Ga Au 0 3 - o o 0 3 o o o 0 2 - o o 0 2 o o o 0 1 o o - 0 1 o o o 1 2 - o o 1 2 o o o 1 3 o o + 2 3 o o o 2 3 o o + 