data_MgSiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiAu2
_chemical_formula_sum   'Mg1 Si1 Au2'
_cell_volume   69.18
_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  Mg2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.93  0.0  0.0  1.0
  Au  Au0  1  0.46  0.4  0.84  1.0
  Au  Au1  1  0.46  0.6  0.84  1.0

data_MgSiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   95.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiAu2
_chemical_formula_sum   'Mg1 Si1 Au2'
_cell_volume   69.18
_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  0.0  0.0  1.0
  Si  Si1  1  0.0  0.93  0.0  1.0
  Au  Au2  1  0.84  0.46  0.4  1.0
  Au  Au3  1  0.84  0.46  0.6  1.0

Mg Si Au Au
Mg Si Au Au 0 1 - o o 2 3 o o o 