data_MgSiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   125.12
_cell_angle_beta   123.07
_cell_angle_gamma   83.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiAu2
_chemical_formula_sum   'Mg1 Si1 Au2'
_cell_volume   69.74
_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  0.0  0.0  0.54  1.0
  Au  Au0  1  0.18  0.0  0.87  1.0
  Au  Au1  1  0.0  0.26  0.67  1.0

data_MgSiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.51
_cell_length_c   4.73
_cell_angle_alpha   118.46
_cell_angle_beta   117.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiAu2
_chemical_formula_sum   'Mg1 Si1 Au2'
_cell_volume   69.74
_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  0.46  0.46  0.46  1.0
  Au  Au2  1  0.31  0.13  0.31  1.0
  Au  Au3  1  0.33  0.58  0.58  1.0

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