data_Fe2SiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   135.87
_cell_angle_beta   135.87
_cell_angle_gamma   64.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiSn
_chemical_formula_sum   'Fe2 Si1 Sn1'
_cell_volume   55.03
_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
  Fe  Fe0  1  0.0  0.0  0.12  1.0
  Fe  Fe1  1  0.0  0.83  0.06  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.83  0.0  0.06  1.0

data_Fe2SiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   4.86
_cell_angle_alpha   112.07
_cell_angle_beta   112.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiSn
_chemical_formula_sum   'Fe2 Si1 Sn1'
_cell_volume   55.03
_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
  Fe  Fe0  1  0.77  0.83  0.77  1.0
  Fe  Fe1  1  0.88  0.0  0.88  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.94  0.0  0.77  1.0

Fe Fe Si Sn
Fe Fe Si Sn 0 3 - o o 0 1 o - o 0 2 o o o 