data_Si2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   151.21
_cell_angle_beta   135.87
_cell_angle_gamma   53.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2NiSn
_chemical_formula_sum   'Si2 Ni1 Sn1'
_cell_volume   65.11
_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  0.44  0.0  0.08  1.0
  Si  Si2  1  0.0  0.18  0.1  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.18  1.0

data_Si2NiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.36
_cell_length_c   5.8
_cell_angle_alpha   112.06
_cell_angle_beta   104.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2NiSn
_chemical_formula_sum   'Si2 Ni1 Sn1'
_cell_volume   65.11
_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  0.36  0.92  0.36  1.0
  Si  Si1  1  0.9  0.08  0.08  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.82  0.82  0.82  1.0

Si Si Ni Sn