data_CaSnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnOs2
_chemical_formula_sum   'Ca1 Sn1 Os2'
_cell_volume   74.74
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.51  1.0
  Os  Os1  1  0.65  0.0  0.41  1.0
  Os  Os2  1  0.65  0.0  0.6  1.0

data_CaSnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnOs2
_chemical_formula_sum   'Ca1 Sn1 Os2'
_cell_volume   74.74
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.51  1.0
  Os  Os2  1  0.65  0.0  0.41  1.0
  Os  Os3  1  0.65  0.0  0.6  1.0

Ca Sn Os Os
CaOs2Sn crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 8-coordinate geometry to six equivalent Ca(1), one Os(1), and one Os(2) atom. There are four shorter (3.01 Å) and two longer (3.30 Å) Ca(1)-Ca(1) bond lengths. The Ca(1)-Os(1) bond length is 3.88 Å. The Ca(1)-Os(2) bond length is 3.72 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted single-bond geometry to one Ca(1) and one Sn(1) atom. The Os(1)-Sn(1) bond length is 1.36 Å. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Ca(1) and one Sn(1) atom. The Os(2)-Sn(1) bond length is 1.36 Å. Sn(1) is bonded in a 2-coordinate geometry to one Os(1) and one Os(2) atom.