data_In2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiSn
_chemical_formula_sum   'In2 Ni1 Sn1'
_cell_volume   82.83
_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  0.53  0.83  0.56  1.0
  In  In1  1  0.53  0.17  0.56  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.06  0.0  0.0  1.0

data_In2NiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   109.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiSn
_chemical_formula_sum   'In2 Ni1 Sn1'
_cell_volume   82.83
_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  0.56  0.53  0.17  1.0
  In  In1  1  0.56  0.53  0.83  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.06  0.0  1.0

In In Ni Sn
In In Ni Sn 0 1 o + o 2 3 o o o 