data_Cu4AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4AsOs
_chemical_formula_sum   'Cu4 As1 Os1'
_cell_volume   79.18
_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  Cu1  1  0.56  0.26  0.56  1.0
  Cu  Cu2  1  0.26  0.56  0.56  1.0
  Cu  Cu3  1  0.26  0.26  0.26  1.0
  Cu  Cu4  1  0.56  0.56  0.26  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os5  1  0.7  0.7  0.7  1.0

data_Cu4AsOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   11.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cu4AsOs
_chemical_formula_sum   'Cu12 As3 Os3'
_cell_volume   237.53
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.2  0.1  0.54  1.0
  Cu  Cu1  3  0.0  0.0  0.74  1.0
  As  As2  3  0.0  0.0  0.0  1.0
  Os  Os3  3  0.0  0.0  0.3  1.0

Cu Cu Cu Cu As Os
OsCu4As crystallizes in the trigonal R3m space group. Os(1) is bonded in a 3-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), and three equivalent As(1) atoms. All Os(1)-Cu(1) bond lengths are 2.20 Å. All Os(1)-Cu(2) bond lengths are 3.09 Å. All Os(1)-As(1) bond lengths are 2.82 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Os(1), two equivalent Cu(1), three equivalent Cu(2), and three equivalent As(1) atoms. Both Cu(1)-Cu(1) bond lengths are 1.45 Å. There is one shorter (2.52 Å) and two longer (2.92 Å) Cu(1)-Cu(2) bond lengths. There are two shorter (2.88 Å) and one longer (3.13 Å) Cu(1)-As(1) bond length. In the second Cu site, Cu(2) is bonded in a 16-coordinate geometry to three equivalent Os(1), nine equivalent Cu(1), and four equivalent As(1) atoms. There are three shorter (2.92 Å) and one longer (3.04 Å) Cu(2)-As(1) bond length. As(1) is bonded in a 16-coordinate geometry to three equivalent Os(1), four equivalent Cu(2), and nine equivalent Cu(1) atoms.