data_CaCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   2.71
_cell_angle_alpha   93.31
_cell_angle_beta   93.31
_cell_angle_gamma   102.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu2Os
_chemical_formula_sum   'Ca1 Cu2 Os1'
_cell_volume   59.03
_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
  Cu  Cu1  1  0.35  0.85  0.35  1.0
  Cu  Cu2  1  0.35  0.15  0.35  1.0
  Os  Os3  1  0.95  0.0  0.0  1.0

data_CaCu2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   102.81
_cell_angle_beta   93.31
_cell_angle_gamma   93.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu2Os
_chemical_formula_sum   'Ca1 Cu2 Os1'
_cell_volume   59.03
_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
  Cu  Cu1  1  0.35  0.35  0.15  1.0
  Cu  Cu2  1  0.35  0.35  0.85  1.0
  Os  Os3  1  0.0  0.95  0.0  1.0

Ca Cu Cu Os
CaOsCu2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaOsCu2 cluster. Ca(1) is bonded in a distorted single-bond geometry to one Os(1), one Cu(1), and one Cu(2) atom. The Ca(1)-Os(1) bond length is 0.22 Å. The Ca(1)-Cu(1) bond length is 2.14 Å. The Ca(1)-Cu(2) bond length is 1.84 Å. Os(1) is bonded in a single-bond geometry to one Ca(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Cu(2) atom. The Cu(1)-Cu(2) bond length is 1.42 Å. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one Ca(1) and one Cu(1) atom.