data_CoBiOs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBiOs4
_chemical_formula_sum   'Co1 Bi1 Os4'
_cell_volume   102.6
_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
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.57  0.57  0.57  1.0
  Os  Os2  1  0.65  0.65  0.78  1.0
  Os  Os3  1  0.65  0.78  0.65  1.0
  Os  Os4  1  0.78  0.65  0.65  1.0
  Os  Os5  1  0.78  0.78  0.78  1.0

data_CoBiOs4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   12.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoBiOs4
_chemical_formula_sum   'Co3 Bi3 Os12'
_cell_volume   307.79
_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
  Co  Co0  3  0.0  0.0  0.0  1.0
  Bi  Bi1  3  0.0  0.0  0.43  1.0
  Os  Os2  9  0.04  0.08  0.31  1.0
  Os  Os3  3  0.0  0.0  0.22  1.0

Co Bi Os Os Os Os
Os4CoBi crystallizes in the trigonal R3m space group. There are two inequivalent Os sites. In the first Os site, Os(2) is bonded in a 4-coordinate geometry to three equivalent Os(1) and one Co(1) atom. All Os(2)-Os(1) bond lengths are 1.16 Å. The Os(2)-Co(1) bond length is 2.84 Å. In the second Os site, Os(1) is bonded in a 2-coordinate geometry to one Os(2), two equivalent Os(1), two equivalent Co(1), and one Bi(1) atom. Both Os(1)-Os(1) bond lengths are 0.67 Å. Both Os(1)-Co(1) bond lengths are 2.88 Å. The Os(1)-Bi(1) bond length is 1.60 Å. Co(1) is bonded in a 7-coordinate geometry to one Os(2) and six equivalent Os(1) atoms. Bi(1) is bonded in a 3-coordinate geometry to three equivalent Os(1) atoms.