data_In3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   143.62
_cell_angle_beta   128.33
_cell_angle_gamma   64.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3Au
_chemical_formula_sum   'In3 Au1'
_cell_volume   98.93
_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  In1  1  0.87  0.0  0.8  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.61  0.26  1.0
  Au  Au0  1  0.0  0.0  0.06  1.0

data_In3Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.22
_cell_length_c   5.99
_cell_angle_alpha   115.84
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3Au
_chemical_formula_sum   'In3 Au1'
_cell_volume   98.93
_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  In0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.8  0.93  1.0
  In  In2  1  0.39  0.65  0.65  1.0
  Au  Au3  1  0.0  0.06  0.06  1.0

In In In Au