data_SrZr2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Sb
_chemical_formula_sum   'Sr1 Zr2 Sb1'
_cell_volume   114.81
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.16  0.0  0.01  1.0
  Zr  Zr3  1  0.16  0.0  0.8  1.0
  Sb  Sb0  1  0.0  0.0  0.9  1.0

data_SrZr2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Sb
_chemical_formula_sum   'Sr1 Zr2 Sb1'
_cell_volume   114.81
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.16  0.0  0.01  1.0
  Zr  Zr2  1  0.16  0.0  0.8  1.0
  Sb  Sb3  1  0.0  0.0  0.9  1.0

Sr Zr Zr Sb
SrZr2Sb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrZr2Sb cluster. Sr(1) is bonded in a distorted single-bond geometry to one Zr(1) and one Sb(1) atom. The Sr(1)-Zr(1) bond length is 0.55 Å. The Sr(1)-Sb(1) bond length is 0.94 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to one Sr(1) and one Sb(1) atom. The Zr(1)-Sb(1) bond length is 1.17 Å. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one Sb(1) atom. The Zr(2)-Sb(1) bond length is 1.17 Å. Sb(1) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Zr(1), and one Zr(2) atom.