data_HfCo2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   23.84
_cell_angle_beta   23.84
_cell_angle_gamma   23.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2Sn
_chemical_formula_sum   'Hf1 Co2 Sn1'
_cell_volume   66.68
_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
  Hf  Hf2  1  0.0  0.0  0.28  1.0
  Co  Co0  1  0.0  0.0  0.96  1.0
  Co  Co1  1  0.0  0.0  0.61  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_HfCo2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   3.2
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   103.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCo2Sn
_chemical_formula_sum   'Hf2 Co4 Sn2'
_cell_volume   133.37
_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
  Hf  Hf0  2  0.0  0.0  0.72  1.0
  Co  Co1  2  -0.0  0.0  0.39  1.0
  Co  Co2  2  0.0  0.0  0.04  1.0
  Sn  Sn3  2  0.0  0.0  0.0  1.0

Hf Co Co Sn
Hf Co Co Sn 0 3 o o o 0 1 o o - 0 2 o o o 1 3 o o + 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o + 
HfCo2Sn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfCo2Sn clusters. Hf(1) is bonded in a linear geometry to one Co(2) and one Sn(1) atom. The Hf(1)-Co(2) bond length is 2.52 Å. The Hf(1)-Sn(1) bond length is 2.19 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Sn(1) atom. The Co(1)-Sn(1) bond length is 0.32 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Hf(1) atom. Sn(1) is bonded in a distorted single-bond geometry to one Hf(1) and one Co(1) atom.