data_NaNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   5.07
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNiSb2
_chemical_formula_sum   'Na1 Ni1 Sb2'
_cell_volume   89.86
_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  0.59  0.0  0.47  1.0
  Ni  Ni1  1  0.07  0.53  0.16  1.0
  Sb  Sb2  1  0.23  0.0  1.0  1.0
  Sb  Sb3  1  0.01  0.53  0.57  1.0

data_NaNiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.07
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNiSb2
_chemical_formula_sum   'Na1 Ni1 Sb2'
_cell_volume   89.86
_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  0.59  0.0  0.47  1.0
  Ni  Ni1  1  0.07  0.53  0.16  1.0
  Sb  Sb2  1  0.01  0.53  0.57  1.0
  Sb  Sb3  1  0.23  0.0  1.0  1.0

Na Ni Sb Sb
NaNiSb2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 14-coordinate geometry to two equivalent Na(1), four equivalent Ni(1), four equivalent Sb(1), and four equivalent Sb(2) atoms. Both Na(1)-Na(1) bond lengths are 3.36 Å. There are a spread of Na(1)-Ni(1) bond distances ranging from 3.30-3.58 Å. There are a spread of Na(1)-Sb(1) bond distances ranging from 2.75-3.51 Å. There are a spread of Na(1)-Sb(2) bond distances ranging from 2.81-3.38 Å. Ni(1) is bonded in a 1-coordinate geometry to four equivalent Na(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. There is one shorter (2.58 Å) and one longer (2.89 Å) Ni(1)-Sb(1) bond length. There is one shorter (2.17 Å) and one longer (3.13 Å) Ni(1)-Sb(2) bond length. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to four equivalent Na(1) and two equivalent Ni(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to four equivalent Na(1) and two equivalent Ni(1) atoms.