data_TaZnCr4
_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   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnCr4
_chemical_formula_sum   'Ta1 Zn1 Cr4'
_cell_volume   79.67
_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
  Ta  Ta4  1  0.12  0.12  0.12  1.0
  Zn  Zn5  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.28  0.28  0.55  1.0
  Cr  Cr1  1  0.28  0.55  0.28  1.0
  Cr  Cr2  1  0.55  0.28  0.28  1.0
  Cr  Cr3  1  0.55  0.55  0.55  1.0

data_TaZnCr4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaZnCr4
_chemical_formula_sum   'Ta3 Zn3 Cr12'
_cell_volume   239.0
_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
  Ta  Ta0  3  0.0  0.0  0.88  1.0
  Zn  Zn1  3  0.0  0.0  0.0  1.0
  Cr  Cr2  9  0.09  0.18  0.63  1.0
  Cr  Cr3  3  0.0  0.0  0.45  1.0

Ta Zn Cr Cr Cr Cr
TaCr4Zn crystallizes in the trigonal R3m space group. Ta(1) is bonded in a single-bond geometry to three equivalent Cr(1), three equivalent Cr(2), and one Zn(1) atom. All Ta(1)-Cr(1) bond lengths are 2.27 Å. All Ta(1)-Cr(2) bond lengths are 3.01 Å. The Ta(1)-Zn(1) bond length is 1.45 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(2) is bonded in a 15-coordinate geometry to three equivalent Ta(1), nine equivalent Cr(1), and three equivalent Zn(1) atoms. There are three shorter (2.30 Å) and six longer (3.06 Å) Cr(2)-Cr(1) bond lengths. All Cr(2)-Zn(1) bond lengths are 3.10 Å. In the second Cr site, Cr(1) is bonded in a 4-coordinate geometry to one Ta(1), two equivalent Cr(1), three equivalent Cr(2), and one Zn(1) atom. Both Cr(1)-Cr(1) bond lengths are 1.33 Å. The Cr(1)-Zn(1) bond length is 2.07 Å. Zn(1) is bonded in a distorted single-bond geometry to one Ta(1), three equivalent Cr(1), and three equivalent Cr(2) atoms.