data_InCu2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.53
_cell_angle_alpha   107.66
_cell_angle_beta   107.66
_cell_angle_gamma   36.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2Au
_chemical_formula_sum   'In1 Cu2 Au1'
_cell_volume   63.73
_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  0.06  0.0  0.22  1.0
  Cu  Cu1  1  0.33  0.0  0.0  1.0
  Cu  Cu2  1  0.44  0.0  0.24  1.0
  Au  Au0  1  0.65  0.0  0.96  1.0

data_InCu2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.53
_cell_length_c   4.98
_cell_angle_alpha   107.66
_cell_angle_beta   108.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2Au
_chemical_formula_sum   'In1 Cu2 Au1'
_cell_volume   63.73
_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  0.22  0.06  1.0
  Cu  Cu1  1  0.0  0.0  0.33  1.0
  Cu  Cu2  1  0.0  0.24  0.44  1.0
  Au  Au3  1  0.0  0.96  0.65  1.0

In Cu Cu Au
In Cu Cu Au 0 3 - o - 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o - 2 3 o o - 