data_NbSi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.57
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   98.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Sn
_chemical_formula_sum   'Nb1 Si2 Sn1'
_cell_volume   70.38
_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
  Nb  Nb0  1  0.58  0.0  0.19  1.0
  Si  Si1  1  0.35  0.78  0.08  1.0
  Si  Si2  1  0.32  0.0  0.15  1.0
  Sn  Sn3  1  0.65  0.78  0.83  1.0

data_NbSi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.59
_cell_length_c   5.56
_cell_angle_alpha   98.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Sn
_chemical_formula_sum   'Nb1 Si2 Sn1'
_cell_volume   70.38
_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
  Nb  Nb0  1  0.0  0.42  0.81  1.0
  Si  Si1  1  0.0  0.68  0.85  1.0
  Si  Si2  1  0.22  0.65  0.92  1.0
  Sn  Sn3  1  0.22  0.35  0.17  1.0

Nb Si Si Sn
Nb Si Si Sn 0 2 o o o 0 3 o - - 1 2 o + o 1 3 o o - 