data_NaHfZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfZnCr
_chemical_formula_sum   'Na1 Hf1 Zn1 Cr1'
_cell_volume   67.85
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.62  0.62  0.62  1.0
  Zn  Zn3  1  0.24  0.24  0.24  1.0
  Cr  Cr0  1  0.86  0.86  0.86  1.0

data_NaHfZnCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   11.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaHfZnCr
_chemical_formula_sum   'Na3 Hf3 Zn3 Cr3'
_cell_volume   203.54
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Hf  Hf1  3  0.0  0.0  0.38  1.0
  Zn  Zn2  3  0.0  0.0  0.76  1.0
  Cr  Cr3  3  0.0  0.0  0.14  1.0

Na Hf Zn Cr
Na Hf Zn Cr 0 3 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 2 o o o 0 2 o o - 0 2 - o o 0 2 o - o 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o o + 1 2 o + o 1 2 + o o 2 3 - - o 2 3 - o - 2 3 o - - 
NaHfCrZn crystallizes in the trigonal R3m space group. Na(1) is bonded in a distorted single-bond geometry to three equivalent Hf(1), one Cr(1), and four equivalent Zn(1) atoms. All Na(1)-Hf(1) bond lengths are 2.70 Å. The Na(1)-Cr(1) bond length is 1.62 Å. There is one shorter (2.66 Å) and three longer (2.85 Å) Na(1)-Zn(1) bond lengths. Hf(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), four equivalent Cr(1), and three equivalent Zn(1) atoms. There is one shorter (2.66 Å) and three longer (2.85 Å) Hf(1)-Cr(1) bond lengths. All Hf(1)-Zn(1) bond lengths are 2.70 Å. Cr(1) is bonded in a single-bond geometry to one Na(1), four equivalent Hf(1), and three equivalent Zn(1) atoms. All Cr(1)-Zn(1) bond lengths are 2.70 Å. Zn(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), three equivalent Hf(1), and three equivalent Cr(1) atoms.