data_Ba2ZnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   5.22
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnSi
_chemical_formula_sum   'Ba2 Zn1 Si1'
_cell_volume   152.58
_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
  Ba  Ba0  1  0.0  0.0  0.25  1.0
  Ba  Ba1  1  0.12  0.61  0.36  1.0
  Zn  Zn3  1  0.12  0.61  0.62  1.0
  Si  Si2  1  0.0  0.0  0.98  1.0

data_Ba2ZnSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   5.22
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnSi
_chemical_formula_sum   'Ba2 Zn1 Si1'
_cell_volume   152.58
_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
  Ba  Ba0  1  0.0  0.0  0.25  1.0
  Ba  Ba1  1  0.12  0.61  0.36  1.0
  Zn  Zn2  1  0.12  0.61  0.62  1.0
  Si  Si3  1  0.0  0.0  0.98  1.0

Ba Ba Zn Si
Ba Ba Zn Si 0 1 o - o 0 3 o o - 1 2 o o o 
BaZn1BaSi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaSi cluster and one BaZn1 cluster. In the BaSi cluster, Ba(1) is bonded in a distorted single-bond geometry to one Si(1) atom. The Ba(1)-Si(1) bond length is 1.86 Å. Si(1) is bonded in a single-bond geometry to one Ba(1) atom. In the BaZn1 cluster, Ba(2) is bonded in a distorted single-bond geometry to one Zn(1) atom. The Ba(2)-Zn(1) bond length is 1.79 Å. Zn(1) is bonded in a single-bond geometry to one Ba(2) atom.