data_Ba2SrZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrZn
_chemical_formula_sum   'Ba2 Sr1 Zn1'
_cell_volume   186.89
_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  0.1  0.1  0.94  1.0
  Ba  Ba1  1  0.1  0.1  0.65  1.0
  Sr  Sr2  1  0.0  0.0  0.3  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_Ba2SrZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2SrZn
_chemical_formula_sum   'Ba4 Sr2 Zn2'
_cell_volume   373.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.1  0.0  0.65  1.0
  Ba  Ba1  2  0.1  0.0  0.94  1.0
  Sr  Sr2  2  0.0  0.0  0.3  1.0
  Zn  Zn3  2  0.0  0.0  0.0  1.0

Ba Ba Sr Zn
Ba2SrZn crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to one Ba(2) and one Zn(1) atom. The Ba(1)-Ba(2) bond length is 3.07 Å. The Ba(1)-Zn(1) bond length is 0.86 Å. In the second Ba site, Ba(2) is bonded to one Ba(1), four equivalent Ba(2), and one Sr(1) atom to form a mixture of distorted corner and edge-sharing BaBa5Sr octahedra. The corner-sharing octahedra are not tilted. All Ba(2)-Ba(2) bond lengths are 4.20 Å. The Ba(2)-Sr(1) bond length is 3.81 Å. Sr(1) is bonded in a distorted single-bond geometry to one Ba(2) and one Zn(1) atom. The Sr(1)-Zn(1) bond length is 3.13 Å. Zn(1) is bonded in a single-bond geometry to one Ba(1) and one Sr(1) atom.