data_HfSn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2Os
_chemical_formula_sum   'Hf1 Sn2 Os1'
_cell_volume   87.91
_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  Hf0  1  0.0  0.0  0.57  1.0
  Sn  Sn2  1  0.0  0.0  0.89  1.0
  Sn  Sn3  1  0.62  0.62  0.33  1.0
  Os  Os1  1  0.62  0.62  0.05  1.0

data_HfSn2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfSn2Os
_chemical_formula_sum   'Hf2 Sn4 Os2'
_cell_volume   175.82
_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  0.57  1.0
  Sn  Sn1  2  0.0  0.0  0.89  1.0
  Sn  Sn2  2  0.12  0.5  0.33  1.0
  Os  Os3  2  0.12  0.5  0.05  1.0

Hf Sn Sn Os
Hf Sn Sn Os 0 2 - - o 0 2 - o o 0 2 o - o 0 0 + o o 0 0 o + o 0 1 o o o 1 3 - - + 1 3 - o + 1 3 o - + 2 3 o o o 
HfOsSn2 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 2-coordinate geometry to one Sn(1) and one Sn(2) atom. The Hf(1)-Sn(1) bond length is 2.65 Å. The Hf(1)-Sn(2) bond length is 2.68 Å. Os(1) is bonded in a 4-coordinate geometry to one Sn(2) and three equivalent Sn(1) atoms. The Os(1)-Sn(2) bond length is 2.32 Å. There is one shorter (2.18 Å) and two longer (2.71 Å) Os(1)-Sn(1) bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to one Hf(1) and three equivalent Os(1) atoms. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Hf(1) and one Os(1) atom.