data_ZnSi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.69
_cell_length_c   3.86
_cell_angle_alpha   71.56
_cell_angle_beta   69.08
_cell_angle_gamma   39.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2Sb
_chemical_formula_sum   'Zn1 Si2 Sb1'
_cell_volume   75.13
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.41  0.52  1.0
  Si  Si2  1  0.64  0.41  0.52  1.0
  Sb  Sb0  1  0.64  0.82  0.04  1.0

data_ZnSi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   5.69
_cell_angle_alpha   108.44
_cell_angle_beta   108.44
_cell_angle_gamma   93.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2Sb
_chemical_formula_sum   'Zn1 Si2 Sb1'
_cell_volume   75.13
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.07  0.59  0.59  1.0
  Si  Si2  1  0.43  0.59  0.95  1.0
  Sb  Sb3  1  0.5  0.18  0.54  1.0

Zn Si Si Sb
ZnSi2Sb crystallizes in the triclinic P1 space group. Zn(1) is bonded in a 6-coordinate geometry to one Si(1), three equivalent Si(2), and two equivalent Sb(1) atoms. The Zn(1)-Si(1) bond length is 2.49 Å. There are a spread of Zn(1)-Si(2) bond distances ranging from 2.39-2.86 Å. There is one shorter (2.88 Å) and one longer (3.04 Å) Zn(1)-Sb(1) bond length. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to one Zn(1), one Si(2), and three equivalent Sb(1) atoms. The Si(1)-Si(2) bond length is 2.09 Å. There are a spread of Si(1)-Sb(1) bond distances ranging from 2.39-2.86 Å. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to three equivalent Zn(1), one Si(1), and one Sb(1) atom. The Si(2)-Sb(1) bond length is 2.49 Å. Sb(1) is bonded in a 6-coordinate geometry to two equivalent Zn(1), one Si(2), and three equivalent Si(1) atoms.