data_In2SiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.69
_cell_length_c   7.69
_cell_angle_alpha   150.62
_cell_angle_beta   150.62
_cell_angle_gamma   42.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiAu2
_chemical_formula_sum   'In2 Si1 Au2'
_cell_volume   109.05
_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
  In  In2  1  0.0  0.0  0.61  1.0
  In  In3  1  0.0  0.0  0.74  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.95  0.59  1.0
  Au  Au1  1  0.95  0.0  0.59  1.0

data_In2SiAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   111.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2SiAu2
_chemical_formula_sum   'In4 Si2 Au4'
_cell_volume   218.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  In  In0  2  0.0  0.0  0.26  1.0
  In  In1  2  0.0  0.0  0.39  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Au  Au3  4  0.47  0.47  0.36  1.0

In In Si Au Au
In In Si Au Au 0 4 - o o 0 3 o - o 0 1 o o o 1 4 - o o 1 3 o - o 1 2 o o + 3 4 - + o 