data_In2NiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   133.99
_cell_angle_beta   133.99
_cell_angle_gamma   67.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiAu
_chemical_formula_sum   'In2 Ni1 Au1'
_cell_volume   73.02
_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  0.36  1.0
  In  In2  1  0.0  0.05  0.18  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.05  0.0  0.18  1.0

data_In2NiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   5.23
_cell_angle_alpha   113.0
_cell_angle_beta   113.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiAu
_chemical_formula_sum   'In2 Ni1 Au1'
_cell_volume   73.02
_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  0.14  0.18  0.14  1.0
  In  In1  1  0.36  0.36  0.36  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.18  0.14  0.14  1.0

In In Ni Au
In In Ni Au 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 