data_NaZr2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   136.19
_cell_angle_beta   135.27
_cell_angle_gamma   64.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Sb
_chemical_formula_sum   'Na1 Zr2 Sb1'
_cell_volume   91.18
_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  Na0  1  0.0  0.0  0.89  1.0
  Zr  Zr2  1  0.0  0.0  0.7  1.0
  Zr  Zr3  1  0.14  0.0  0.43  1.0
  Sb  Sb1  1  0.0  0.19  0.44  1.0

data_NaZr2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.37
_cell_length_c   5.75
_cell_angle_alpha   112.36
_cell_angle_beta   111.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Sb
_chemical_formula_sum   'Na1 Zr2 Sb1'
_cell_volume   91.18
_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  Na0  1  0.0  0.89  0.89  1.0
  Zr  Zr1  1  0.0  0.43  0.28  1.0
  Zr  Zr2  1  0.0  0.7  0.7  1.0
  Sb  Sb3  1  0.81  0.25  0.25  1.0

Na Zr Zr Sb
NaZrZrSb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one 70495-28-2 molecule and one NaZr cluster. In the NaZr cluster, Na(1) is bonded in a distorted single-bond geometry to one Zr(1) atom. The Na(1)-Zr(1) bond length is 1.09 Å. Zr(1) is bonded in a single-bond geometry to one Na(1) atom.