data_CaCoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoOs2
_chemical_formula_sum   'Ca1 Co1 Os2'
_cell_volume   61.13
_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
  Co  Co1  1  0.0  0.0  0.13  1.0
  Os  Os2  1  0.36  0.36  0.81  1.0
  Os  Os3  1  0.36  0.36  0.45  1.0

data_CaCoOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaCoOs2
_chemical_formula_sum   'Ca2 Co2 Os4'
_cell_volume   122.26
_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  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.13  1.0
  Os  Os2  2  0.36  0.0  0.45  1.0
  Os  Os3  2  0.36  0.0  0.81  1.0

Ca Co Os Os
CaOs2Co crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a distorted single-bond geometry to one Os(1) and one Co(1) atom. The Ca(1)-Os(1) bond length is 2.10 Å. The Ca(1)-Co(1) bond length is 1.08 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 1-coordinate geometry to one Ca(1) and one Os(2) atom. The Os(1)-Os(2) bond length is 2.96 Å. In the second Os site, Os(2) is bonded in a 8-coordinate geometry to one Os(1), four equivalent Os(2), and three equivalent Co(1) atoms. All Os(2)-Os(2) bond lengths are 2.72 Å. There is one shorter (2.99 Å) and two longer (3.32 Å) Os(2)-Co(1) bond lengths. Co(1) is bonded in a single-bond geometry to one Ca(1) and three equivalent Os(2) atoms.