data_InCuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.85
_cell_angle_alpha   104.83
_cell_angle_beta   104.83
_cell_angle_gamma   37.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuAu2
_chemical_formula_sum   'In1 Cu1 Au2'
_cell_volume   71.05
_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  In3  1  0.1  0.0  0.33  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.51  0.0  0.57  1.0
  Au  Au1  1  0.68  0.0  0.09  1.0

data_InCuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.85
_cell_length_c   5.01
_cell_angle_alpha   104.83
_cell_angle_beta   108.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuAu2
_chemical_formula_sum   'In1 Cu1 Au2'
_cell_volume   71.05
_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  In0  1  0.0  0.33  0.1  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.09  0.68  1.0
  Au  Au3  1  0.0  0.57  0.51  1.0

In Cu Au Au