data_NaCoSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   5.1
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoSb2
_chemical_formula_sum   'Na1 Co1 Sb2'
_cell_volume   87.53
_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  Na1  1  0.0  0.0  0.11  1.0
  Co  Co0  1  0.66  0.55  0.8  1.0
  Sb  Sb2  1  0.66  0.55  0.27  1.0
  Sb  Sb3  1  0.66  0.0  0.58  1.0

data_NaCoSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.1
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoSb2
_chemical_formula_sum   'Na1 Co1 Sb2'
_cell_volume   87.53
_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  0.11  1.0
  Co  Co1  1  0.66  0.55  0.8  1.0
  Sb  Sb2  1  0.66  0.0  0.58  1.0
  Sb  Sb3  1  0.66  0.55  0.27  1.0

Na Co Sb Sb
Na Co Sb Sb 0 1 - - - 0 1 - o - 0 2 - - o 0 2 - o o 0 2 o - o 0 3 - o - 0 3 - o o 0 3 o o - 0 3 o o o 0 0 + o o 1 3 o o o 1 3 o + o 1 2 o o o 1 2 o o + 2 3 o + o 2 3 o o o 3 3 + o o 
NaCoSb2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 13-coordinate geometry to two equivalent Na(1), three equivalent Co(1), four equivalent Sb(1), and four equivalent Sb(2) atoms. Both Na(1)-Na(1) bond lengths are 3.32 Å. There are a spread of Na(1)-Co(1) bond distances ranging from 3.02-3.55 Å. There are a spread of Na(1)-Sb(1) bond distances ranging from 2.71-3.65 Å. There are a spread of Na(1)-Sb(2) bond distances ranging from 2.71-3.49 Å. Co(1) is bonded in a 9-coordinate geometry to three equivalent Na(1), two equivalent Co(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. Both Co(1)-Co(1) bond lengths are 3.32 Å. There is one shorter (2.46 Å) and one longer (2.72 Å) Co(1)-Sb(1) bond length. There is one shorter (2.56 Å) and one longer (3.01 Å) Co(1)-Sb(2) bond length. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), two equivalent Co(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. Both Sb(1)-Sb(1) bond lengths are 3.32 Å. There is one shorter (2.80 Å) and one longer (3.21 Å) Sb(1)-Sb(2) bond length. In the second Sb site, Sb(2) is bonded in a 10-coordinate geometry to four equivalent Na(1), two equivalent Co(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. Both Sb(2)-Sb(2) bond lengths are 3.32 Å.