data_Cu3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Os
_chemical_formula_sum   'Cu3 Os1'
_cell_volume   50.03
_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
  Cu  Cu0  1  0.34  0.34  0.35  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.34  0.34  0.66  1.0
  Os  Os3  1  0.0  0.0  0.5  1.0

data_Cu3Os
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.01
_cell_length_b   3.78
_cell_length_c   3.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Cu3Os
_chemical_formula_sum   'Cu6 Os2'
_cell_volume   100.07
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Cu  Cu0  4  0.35  0.0  0.34  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.5  0.0  0.0  1.0

Cu Cu Cu Os
OsCu3 crystallizes in the monoclinic Cm space group. Os(1) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(3) atom. The Os(1)-Cu(1) bond length is 1.67 Å. The Os(1)-Cu(3) bond length is 1.67 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Os(1) and one Cu(2) atom. The Cu(1)-Cu(2) bond length is 2.76 Å. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one Cu(1), one Cu(3), and four equivalent Cu(2) atoms. The Cu(2)-Cu(3) bond length is 2.71 Å. All Cu(2)-Cu(2) bond lengths are 2.67 Å. In the third Cu site, Cu(3) is bonded in a distorted single-bond geometry to one Os(1) and one Cu(2) atom.