data_SiNiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiSn
_chemical_formula_sum   'Si1 Ni1 Sn1'
_cell_volume   50.15
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  1.0  0.29  0.0  1.0
  Sn  Sn2  1  0.98  0.14  0.85  1.0

data_SiNiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.96
_cell_length_c   3.96
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiSn
_chemical_formula_sum   'Si1 Ni1 Sn1'
_cell_volume   50.15
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  1.0  0.29  1.0
  Sn  Sn2  1  0.85  0.98  0.14  1.0

Si Ni Sn
Si Ni Sn 0 2 - o - 1 2 o o - 