data_InAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   12.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAu
_chemical_formula_sum   'In4 Au4'
_cell_volume   250.18
_cell_formula_units_Z   4
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  In4  1  0.0  0.0  0.02  1.0
  In  In5  1  0.0  0.0  0.06  1.0
  In  In6  1  0.45  0.41  0.06  1.0
  In  In7  1  0.0  0.82  0.02  1.0
  Au  Au0  1  0.45  0.41  0.51  1.0
  Au  Au1  1  0.0  0.82  0.55  1.0
  Au  Au2  1  0.0  0.82  0.56  1.0
  Au  Au3  1  0.45  0.41  0.53  1.0

data_InAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   12.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAu
_chemical_formula_sum   'In4 Au4'
_cell_volume   250.18
_cell_formula_units_Z   4
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  In0  1  0.0  0.0  0.02  1.0
  In  In1  1  0.0  0.0  0.06  1.0
  In  In2  1  0.0  0.82  0.02  1.0
  In  In3  1  0.45  0.41  0.06  1.0
  Au  Au4  1  0.0  0.82  0.55  1.0
  Au  Au5  1  0.0  0.82  0.56  1.0
  Au  Au6  1  0.45  0.41  0.51  1.0
  Au  Au7  1  0.45  0.41  0.53  1.0

In In In In Au Au Au Au
In In In In Au Au Au Au 0 1 o o o 0 2 o o o 0 3 o - o 1 2 o o o 1 3 o - o 2 3 + o o 4 7 o o o 5 6 o o o 