data_FeSn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.92
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSn2Cl
_chemical_formula_sum   'Fe1 Sn2 Cl1'
_cell_volume   90.36
_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  Fe1  1  0.58  0.0  0.91  1.0
  Sn  Sn2  1  0.58  0.46  0.0  1.0
  Sn  Sn3  1  0.0  0.46  0.91  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_FeSn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.92
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSn2Cl
_chemical_formula_sum   'Fe1 Sn2 Cl1'
_cell_volume   90.36
_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  0.58  0.0  0.91  1.0
  Sn  Sn1  1  0.0  0.46  0.91  1.0
  Sn  Sn2  1  0.58  0.46  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Fe Sn Sn Cl
Fe Sn Sn Cl 0 3 + o + 1 2 + o - 