data_ZrFeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.22
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeSn2
_chemical_formula_sum   'Zr1 Fe1 Sn2'
_cell_volume   76.99
_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
  Zr  Zr3  1  0.0  0.11  0.2  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.07  0.0  0.2  1.0
  Sn  Sn2  1  0.07  0.11  0.0  1.0

data_ZrFeSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.22
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeSn2
_chemical_formula_sum   'Zr1 Fe1 Sn2'
_cell_volume   76.99
_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
  Zr  Zr0  1  0.0  0.11  0.2  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.07  0.0  0.2  1.0
  Sn  Sn3  1  0.07  0.11  0.0  1.0

Zr Fe Sn Sn
Zr Fe Sn Sn 0 2 o o o 1 3 o o o 
ZrFeSn2 is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrFeSn2 cluster. Zr(1) is bonded in a distorted single-bond geometry to one Sn(1) and one Sn(2) atom. The Zr(1)-Sn(1) bond length is 0.56 Å. The Zr(1)-Sn(2) bond length is 0.92 Å. Fe(1) is bonded in a distorted single-bond geometry to one Sn(2) atom. The Fe(1)-Sn(2) bond length is 0.56 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Zr(1) and one Fe(1) atom.