data_InNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   7.1
_cell_angle_alpha   104.93
_cell_angle_beta   104.93
_cell_angle_gamma   55.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNiSn2
_chemical_formula_sum   'In1 Ni1 Sn2'
_cell_volume   94.74
_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  0.6  0.0  0.39  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.29  0.0  0.61  1.0
  Sn  Sn3  1  0.91  0.0  0.18  1.0

data_InNiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.11
_cell_length_c   7.1
_cell_angle_alpha   104.93
_cell_angle_beta   90.0
_cell_angle_gamma   117.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNiSn2
_chemical_formula_sum   'In1 Ni1 Sn2'
_cell_volume   94.74
_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  0.4  0.61  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.09  0.82  1.0
  Sn  Sn3  1  0.0  0.71  0.39  1.0

In Ni Sn Sn