data_In2NiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   37.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiAu
_chemical_formula_sum   'In2 Ni1 Au1'
_cell_volume   76.71
_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  0.0  0.0  0.34  1.0
  In  In2  1  0.09  0.0  0.55  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.09  0.0  0.66  1.0

data_In2NiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.18
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   108.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiAu
_chemical_formula_sum   'In2 Ni1 Au1'
_cell_volume   76.71
_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  0.45  0.09  0.45  1.0
  In  In1  1  0.66  0.0  0.66  1.0
  Ni  Ni2  1  1.0  0.0  1.0  1.0
  Au  Au3  1  0.34  0.09  0.34  1.0

In In Ni Au