data_CaNiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   147.34
_cell_angle_beta   147.34
_cell_angle_gamma   46.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiOs
_chemical_formula_sum   'Ca1 Ni1 Os1'
_cell_volume   54.01
_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  0.01  1.0
  Ni  Ni1  1  0.0  0.0  0.06  1.0
  Os  Os2  1  0.0  0.0  0.41  1.0

data_CaNiOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   113.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaNiOs
_chemical_formula_sum   'Ca2 Ni2 Os2'
_cell_volume   108.02
_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
  Ca  Ca0  2  0.01  0.0  0.01  1.0
  Ni  Ni1  2  0.06  0.0  0.06  1.0
  Os  Os2  2  0.41  0.0  0.41  1.0

Ca Ni Os
CaOsNi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaOsNi clusters. Ca(1) is bonded in a single-bond geometry to one Ni(1) atom. The Ca(1)-Ni(1) bond length is 0.30 Å. Os(1) is bonded in a distorted single-bond geometry to one Ni(1) atom. The Os(1)-Ni(1) bond length is 1.97 Å. Ni(1) is bonded in a single-bond geometry to one Ca(1) and one Os(1) atom.