data_YZnOs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnOs4
_chemical_formula_sum   'Y1 Zn1 Os4'
_cell_volume   103.04
_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  Y4  1  0.58  0.58  0.58  1.0
  Zn  Zn5  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.65  0.65  0.79  1.0
  Os  Os1  1  0.65  0.79  0.65  1.0
  Os  Os2  1  0.79  0.65  0.65  1.0
  Os  Os3  1  0.79  0.79  0.79  1.0

data_YZnOs4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   12.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YZnOs4
_chemical_formula_sum   'Y3 Zn3 Os12'
_cell_volume   309.11
_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  3  0.0  0.0  0.42  1.0
  Zn  Zn1  3  0.0  0.0  0.0  1.0
  Os  Os2  9  0.04  0.09  0.3  1.0
  Os  Os3  3  0.0  0.0  0.21  1.0

Y Zn Os Os Os Os
YOs4Zn crystallizes in the trigonal R3m space group. Y(1) is bonded in a 3-coordinate geometry to three equivalent Os(1) and three equivalent Os(2) atoms. All Y(1)-Os(1) bond lengths are 1.57 Å. All Y(1)-Os(2) bond lengths are 3.46 Å. There are two inequivalent Os sites. In the first Os site, Os(2) is bonded in a 7-coordinate geometry to three equivalent Y(1), three equivalent Os(1), and one Zn(1) atom. All Os(2)-Os(1) bond lengths are 1.20 Å. The Os(2)-Zn(1) bond length is 2.75 Å. In the second Os site, Os(1) is bonded in a 2-coordinate geometry to one Y(1), one Os(2), and two equivalent Os(1) atoms. Both Os(1)-Os(1) bond lengths are 0.69 Å. Zn(1) is bonded in a 1-coordinate geometry to one Os(2) atom.