data_In2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.62
_cell_angle_alpha   102.98
_cell_angle_beta   102.98
_cell_angle_gamma   45.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiSn
_chemical_formula_sum   'In2 Ni1 Sn1'
_cell_volume   92.33
_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  0.43  0.0  0.34  1.0
  In  In1  1  0.77  0.0  0.43  1.0
  Ni  Ni2  1  0.28  0.0  0.27  1.0
  Sn  Sn3  1  0.94  0.0  0.01  1.0

data_In2NiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.5
_cell_length_c   6.62
_cell_angle_alpha   102.98
_cell_angle_beta   90.0
_cell_angle_gamma   112.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiSn
_chemical_formula_sum   'In2 Ni1 Sn1'
_cell_volume   92.33
_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  0.23  0.57  1.0
  In  In1  1  0.0  0.57  0.66  1.0
  Ni  Ni2  1  0.0  0.72  0.73  1.0
  Sn  Sn3  1  0.0  0.06  0.99  1.0

In In Ni Sn