data_Zr2SnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnOs
_chemical_formula_sum   'Zr2 Sn1 Os1'
_cell_volume   80.02
_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  Zr2  1  0.77  0.77  0.71  1.0
  Zr  Zr3  1  0.77  0.77  0.65  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.0  0.18  1.0

data_Zr2SnOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2SnOs
_chemical_formula_sum   'Zr4 Sn2 Os2'
_cell_volume   160.04
_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
  Zr  Zr0  2  0.27  0.5  0.65  1.0
  Zr  Zr1  2  0.27  0.5  0.71  1.0
  Sn  Sn2  2  0.0  0.0  0.0  1.0
  Os  Os3  2  0.0  0.0  0.18  1.0

Zr Zr Sn Os
Zr2OsSn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Zr2OsSn clusters. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a bent 150 degrees geometry to one Zr(2) and one Sn(1) atom. The Zr(1)-Zr(2) bond length is 0.38 Å. The Zr(1)-Sn(1) bond length is 2.19 Å. In the second Zr site, Zr(2) is bonded in a distorted single-bond geometry to one Zr(1) atom. Os(1) is bonded in a distorted single-bond geometry to one Sn(1) atom. The Os(1)-Sn(1) bond length is 1.11 Å. Sn(1) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one Os(1) atom.