data_ZnCrSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrSb2
_chemical_formula_sum   'Zn1 Cr1 Sb2'
_cell_volume   89.24
_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  Zn3  1  0.32  0.32  0.32  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.55  0.55  0.55  1.0
  Sb  Sb2  1  0.77  0.77  0.77  1.0

data_ZnCrSb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   12.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnCrSb2
_chemical_formula_sum   'Zn3 Cr3 Sb6'
_cell_volume   267.73
_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  3  0.0  0.0  0.68  1.0
  Cr  Cr1  3  0.0  0.0  0.0  1.0
  Sb  Sb2  3  0.0  0.0  0.23  1.0
  Sb  Sb3  3  0.0  0.0  0.45  1.0

Zn Cr Sb Sb
Zn Cr Sb Sb 0 2 o - o 0 2 - o o 0 2 o o - 0 2 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - o o 0 3 o - o 0 3 o o - 1 3 - - - 1 3 - - o 1 3 o - - 1 3 - o - 1 2 - - o 1 2 - o - 1 2 o - - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
CrZnSb2 crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 10-coordinate geometry to three equivalent Zn(1), three equivalent Sb(1), and four equivalent Sb(2) atoms. All Cr(1)-Zn(1) bond lengths are 2.90 Å. All Cr(1)-Sb(1) bond lengths are 3.25 Å. There is one shorter (2.78 Å) and three longer (3.18 Å) Cr(1)-Sb(2) bond lengths. Zn(1) is bonded in a 10-coordinate geometry to three equivalent Cr(1), three equivalent Sb(2), and four equivalent Sb(1) atoms. All Zn(1)-Sb(2) bond lengths are 3.25 Å. There is one shorter (2.78 Å) and three longer (3.18 Å) Zn(1)-Sb(1) bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 11-coordinate geometry to three equivalent Cr(1), four equivalent Zn(1), and four equivalent Sb(2) atoms. There is one shorter (2.78 Å) and three longer (3.18 Å) Sb(1)-Sb(2) bond lengths. In the second Sb site, Sb(2) is bonded in a 11-coordinate geometry to four equivalent Cr(1), three equivalent Zn(1), and four equivalent Sb(1) atoms.