data_Cu2NiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47
_cell_length_b   8.47
_cell_length_c   8.47
_cell_angle_alpha   17.88
_cell_angle_beta   17.88
_cell_angle_gamma   17.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiOs
_chemical_formula_sum   'Cu2 Ni1 Os1'
_cell_volume   50.07
_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  0.0  0.0  0.06  1.0
  Cu  Cu1  1  0.0  0.0  0.79  1.0
  Ni  Ni2  1  0.0  0.0  0.48  1.0
  Os  Os3  1  0.0  0.0  0.18  1.0

data_Cu2NiOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   2.63
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   100.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2NiOs
_chemical_formula_sum   'Cu4 Ni2 Os2'
_cell_volume   100.14
_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
  Cu  Cu0  2  0.0  0.0  0.21  1.0
  Cu  Cu1  2  0.0  0.0  0.94  1.0
  Ni  Ni2  2  0.0  0.0  0.52  1.0
  Os  Os3  2  0.0  0.0  0.82  1.0

Cu Cu Ni Os
Cu Cu Ni Os 0 3 o o o 0 1 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 
OsNiCu2 crystallizes in the monoclinic Cm space group. Os(1) is bonded in a single-bond geometry to one Ni(1) and one Cu(1) atom. The Os(1)-Ni(1) bond length is 2.54 Å. The Os(1)-Cu(1) bond length is 1.03 Å. Ni(1) is bonded in a 8-coordinate geometry to one Os(1), six equivalent Ni(1), and one Cu(2) atom. All Ni(1)-Ni(1) bond lengths are 2.63 Å. The Ni(1)-Cu(2) bond length is 2.59 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Os(1) and one Cu(2) atom. The Cu(1)-Cu(2) bond length is 2.32 Å. In the second Cu site, Cu(2) is bonded to one Ni(1), one Cu(1), and six equivalent Cu(2) atoms to form a mixture of distorted corner and edge-sharing CuCu7Ni hexagonal bipyramids. All Cu(2)-Cu(2) bond lengths are 2.63 Å.