data_ScSiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   136.68
_cell_angle_beta   129.76
_cell_angle_gamma   68.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiAu2
_chemical_formula_sum   'Sc1 Si1 Au2'
_cell_volume   72.19
_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
  Sc  Sc2  1  0.0  0.0  0.29  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.2  0.38  1.0
  Au  Au1  1  0.91  0.0  0.91  1.0

data_ScSiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.4
_cell_length_c   5.18
_cell_angle_alpha   115.12
_cell_angle_beta   111.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiAu2
_chemical_formula_sum   'Sc1 Si1 Au2'
_cell_volume   72.19
_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
  Sc  Sc0  1  0.71  0.71  0.71  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.01  0.09  0.01  1.0
  Au  Au3  1  0.62  0.82  0.82  1.0

Sc Si Au Au