data_Ba2LiZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiZn
_chemical_formula_sum   'Ba2 Li1 Zn1'
_cell_volume   149.61
_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  0.09  0.11  0.12  1.0
  Ba  Ba1  1  0.09  0.89  0.12  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.19  0.0  0.0  1.0

data_Ba2LiZn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.23
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2LiZn
_chemical_formula_sum   'Ba2 Li1 Zn1'
_cell_volume   149.61
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.12  0.11  0.09  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  -0.0  0.0  0.19  1.0

Ba Ba Li Zn
LiBa2Zn crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one LiBa2Zn cluster. Li(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Zn(1) atom. Both Li(1)-Ba(1) bond lengths are 0.99 Å. The Li(1)-Zn(1) bond length is 1.10 Å. Ba(1) is bonded in a 2-coordinate geometry to one Li(1) and one Zn(1) atom. The Ba(1)-Zn(1) bond length is 0.99 Å. Zn(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Ba(1) atoms.