data_NaHfMgZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfMgZr
_chemical_formula_sum   'Na1 Hf1 Mg1 Zr1'
_cell_volume   89.87
_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  Hf0  1  0.33  0.33  0.33  1.0
  Mg  Mg1  1  0.56  0.56  0.56  1.0
  Zr  Zr3  1  0.78  0.78  0.78  1.0

data_NaHfMgZr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   12.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaHfMgZr
_chemical_formula_sum   'Na3 Hf3 Mg3 Zr3'
_cell_volume   269.62
_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  0.67  1.0
  Mg  Mg2  3  0.0  0.0  0.44  1.0
  Zr  Zr3  3  0.0  0.0  0.22  1.0

Na Hf Mg Zr
Na Hf Mg Zr 0 3 - - - 0 3 - - o 0 3 o - - 0 3 - o - 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
NaMgHfZr crystallizes in the trigonal R3m space group. Na(1) is bonded in a 10-coordinate geometry to three equivalent Mg(1), three equivalent Hf(1), and four equivalent Zr(1) atoms. All Na(1)-Mg(1) bond lengths are 3.21 Å. All Na(1)-Hf(1) bond lengths are 2.90 Å. There is one shorter (2.74 Å) and three longer (3.21 Å) Na(1)-Zr(1) bond lengths. Mg(1) is bonded in a 11-coordinate geometry to three equivalent Na(1), four equivalent Hf(1), and four equivalent Zr(1) atoms. There is one shorter (2.74 Å) and three longer (3.21 Å) Mg(1)-Hf(1) bond lengths. There is one shorter (2.74 Å) and three longer (3.21 Å) Mg(1)-Zr(1) bond lengths. Hf(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and four equivalent Mg(1) atoms. Zr(1) is bonded in a 1-coordinate geometry to four equivalent Na(1) and four equivalent Mg(1) atoms.