data_Zr3ZnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3ZnOs
_chemical_formula_sum   'Zr3 Zn1 Os1'
_cell_volume   112.81
_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
  Zr  Zr2  1  0.0  0.42  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.42  1.0
  Zr  Zr4  1  0.42  0.0  0.0  1.0
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.42  0.42  0.42  1.0

data_Zr3ZnOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zr3ZnOs
_chemical_formula_sum   'Zr9 Zn3 Os3'
_cell_volume   338.42
_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
  Zr  Zr0  9  0.19  0.39  0.81  1.0
  Zn  Zn1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.42  1.0

Zr Zr Zr Zn Os
Zr3OsZn crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 1-coordinate geometry to three equivalent Os(1) and two equivalent Zn(1) atoms. There is one shorter (2.84 Å) and two longer (3.46 Å) Zr(1)-Os(1) bond lengths. There is one shorter (2.01 Å) and one longer (2.82 Å) Zr(1)-Zn(1) bond length. Os(1) is bonded in a 9-coordinate geometry to nine equivalent Zr(1) atoms. Zn(1) is bonded to six equivalent Zr(1) atoms to form distorted corner-sharing ZnZr6 octahedra. The corner-sharing octahedra are not tilted.