data_Zn4CrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4CrOs
_chemical_formula_sum   'Zn4 Cr1 Os1'
_cell_volume   82.47
_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
  Zn  Zn2  1  0.59  0.59  0.32  1.0
  Zn  Zn3  1  0.59  0.32  0.59  1.0
  Zn  Zn4  1  0.32  0.59  0.59  1.0
  Zn  Zn5  1  0.32  0.32  0.32  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.73  0.73  0.73  1.0

data_Zn4CrOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   11.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn4CrOs
_chemical_formula_sum   'Zn12 Cr3 Os3'
_cell_volume   247.42
_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
  Zn  Zn0  9  0.19  0.09  0.5  1.0
  Zn  Zn1  3  0.0  0.0  0.68  1.0
  Cr  Cr2  3  0.0  0.0  0.0  1.0
  Os  Os3  3  0.0  0.0  0.27  1.0

Zn Zn Zn Zn Cr Os
CrOsZn4 crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 9-coordinate geometry to three equivalent Os(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. All Cr(1)-Os(1) bond lengths are 2.91 Å. All Cr(1)-Zn(1) bond lengths are 2.84 Å. All Cr(1)-Zn(2) bond lengths are 2.83 Å. Os(1) is bonded in a 3-coordinate geometry to three equivalent Cr(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. All Os(1)-Zn(1) bond lengths are 2.41 Å. All Os(1)-Zn(2) bond lengths are 2.97 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one Cr(1), one Os(1), one Zn(2), and two equivalent Zn(1) atoms. The Zn(1)-Zn(2) bond length is 2.35 Å. Both Zn(1)-Zn(1) bond lengths are 1.36 Å. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Os(1), and three equivalent Zn(1) atoms.