data_Y4AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4AsOs
_chemical_formula_sum   'Y4 As1 Os1'
_cell_volume   148.6
_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
  Y  Y2  1  0.16  0.16  0.24  1.0
  Y  Y3  1  0.16  0.24  0.16  1.0
  Y  Y4  1  0.24  0.16  0.16  1.0
  Y  Y5  1  0.24  0.24  0.24  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.1  0.1  0.1  1.0

data_Y4AsOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   14.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y4AsOs
_chemical_formula_sum   'Y12 As3 Os3'
_cell_volume   445.81
_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
  Y  Y0  9  0.03  0.05  0.81  1.0
  Y  Y1  3  0.0  0.0  0.76  1.0
  As  As2  3  0.0  0.0  0.0  1.0
  Os  Os3  3  0.0  0.0  0.9  1.0

Y Y Y Y As Os
Y4OsAs crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 2-coordinate geometry to one Y(2), two equivalent Y(1), and one Os(1) atom. The Y(1)-Y(2) bond length is 0.82 Å. Both Y(1)-Y(1) bond lengths are 0.47 Å. The Y(1)-Os(1) bond length is 1.32 Å. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Y(1) and three equivalent As(1) atoms. All Y(2)-As(1) bond lengths are 3.67 Å. Os(1) is bonded in a rectangular see-saw-like geometry to three equivalent Y(1) and one As(1) atom. The Os(1)-As(1) bond length is 1.49 Å. As(1) is bonded in a distorted single-bond geometry to three equivalent Y(2) and one Os(1) atom.