data_InAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   145.27
_cell_angle_beta   64.49
_cell_angle_gamma   127.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAu3
_chemical_formula_sum   'In1 Au3'
_cell_volume   77.21
_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  In3  1  0.0  0.0  0.72  1.0
  Au  Au0  1  0.66  0.4  0.43  1.0
  Au  Au1  1  0.66  0.6  0.43  1.0
  Au  Au2  1  0.0  0.71  0.64  1.0

data_InAu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.93
_cell_length_c   5.57
_cell_angle_alpha   116.25
_cell_angle_beta   107.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAu3
_chemical_formula_sum   'In1 Au3'
_cell_volume   77.21
_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  0.28  0.28  1.0
  Au  Au1  1  0.71  0.07  0.07  1.0
  Au  Au2  1  0.73  0.97  0.31  1.0
  Au  Au3  1  0.94  0.18  0.52  1.0

In Au Au Au