data_VFeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   37.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeSn2
_chemical_formula_sum   'V1 Fe1 Sn2'
_cell_volume   71.93
_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
  V  V3  1  0.0  0.0  0.9  1.0
  Fe  Fe0  1  0.04  0.0  0.15  1.0
  Sn  Sn1  1  0.0  0.0  0.17  1.0
  Sn  Sn2  1  0.04  0.0  0.02  1.0

data_VFeSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.08
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   108.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeSn2
_chemical_formula_sum   'V1 Fe1 Sn2'
_cell_volume   71.93
_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
  V  V0  1  0.1  0.0  0.1  1.0
  Fe  Fe1  1  0.85  0.04  0.85  1.0
  Sn  Sn2  1  0.83  0.0  0.83  1.0
  Sn  Sn3  1  0.98  0.04  0.98  1.0

V Fe Sn Sn
V Fe Sn Sn 0 3 o o + 1 2 o o o 1 3 o o o 2 3 o o o 