data_NbFeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   8.87
_cell_angle_alpha   20.24
_cell_angle_beta   20.24
_cell_angle_gamma   20.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeSn2
_chemical_formula_sum   'Nb1 Fe1 Sn2'
_cell_volume   73.1
_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  Nb1  1  0.0  0.0  0.03  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.31  1.0
  Sn  Sn3  1  0.0  0.0  0.75  1.0

data_NbFeSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   3.12
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   101.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbFeSn2
_chemical_formula_sum   'Nb2 Fe2 Sn4'
_cell_volume   146.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.97  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.0  0.0  0.69  1.0
  Sn  Sn3  2  0.0  0.0  0.25  1.0

Nb Fe Sn Sn