data_ZnSi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   135.45
_cell_angle_beta   122.11
_cell_angle_gamma   75.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2Au
_chemical_formula_sum   'Zn1 Si2 Au1'
_cell_volume   65.54
_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
  Zn  Zn3  1  0.0  0.0  0.71  1.0
  Si  Si1  1  0.0  0.0  0.16  1.0
  Si  Si2  1  0.83  0.0  0.81  1.0
  Au  Au0  1  0.0  0.34  0.96  1.0

data_ZnSi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.68
_cell_length_c   4.84
_cell_angle_alpha   118.95
_cell_angle_beta   112.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2Au
_chemical_formula_sum   'Zn1 Si2 Au1'
_cell_volume   65.54
_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
  Zn  Zn0  1  0.0  0.71  0.71  1.0
  Si  Si1  1  0.0  0.16  0.16  1.0
  Si  Si2  1  0.0  0.81  0.98  1.0
  Au  Au3  1  0.66  0.62  0.62  1.0

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