data_NbSiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   141.59
_cell_angle_beta   125.75
_cell_angle_gamma   68.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSiSn2
_chemical_formula_sum   'Nb1 Si1 Sn2'
_cell_volume   80.56
_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  0.49  0.22  1.0
  Si  Si1  1  0.0  0.0  0.67  1.0
  Sn  Sn2  1  0.0  0.49  0.36  1.0
  Sn  Sn3  1  0.0  0.0  0.29  1.0

data_NbSiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.97
_cell_length_c   5.46
_cell_angle_alpha   117.13
_cell_angle_beta   109.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSiSn2
_chemical_formula_sum   'Nb1 Si1 Sn2'
_cell_volume   80.56
_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  0.78  0.26  0.26  1.0
  Si  Si1  1  0.33  0.33  0.33  1.0
  Sn  Sn2  1  0.64  0.13  0.13  1.0
  Sn  Sn3  1  0.71  0.71  0.71  1.0

Nb Si Sn Sn