data_CuSiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.99
_cell_angle_alpha   99.31
_cell_angle_beta   99.31
_cell_angle_gamma   38.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiAu2
_chemical_formula_sum   'Cu1 Si1 Au2'
_cell_volume   63.82
_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
  Cu  Cu2  1  0.9  0.0  0.46  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.5  0.0  0.68  1.0
  Au  Au1  1  0.29  0.0  0.23  1.0

data_CuSiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.58
_cell_length_c   4.99
_cell_angle_alpha   99.31
_cell_angle_beta   90.0
_cell_angle_gamma   109.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiAu2
_chemical_formula_sum   'Cu1 Si1 Au2'
_cell_volume   63.82
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.1  0.54  1.0
  Au  Au2  1  0.0  0.5  0.32  1.0
  Au  Au3  1  0.0  0.71  0.77  1.0

Cu Si Au Au