data_BaZnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   136.75
_cell_angle_beta   136.75
_cell_angle_gamma   62.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnSn2
_chemical_formula_sum   'Ba1 Zn1 Sn2'
_cell_volume   121.8
_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  0.47  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.36  0.73  1.0
  Sn  Sn2  1  0.36  0.0  0.73  1.0

data_BaZnSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   121.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaZnSn2
_chemical_formula_sum   'Ba2 Zn2 Sn4'
_cell_volume   243.61
_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  0.03  0.5  0.53  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  4  0.45  0.18  0.63  1.0

Ba Zn Sn Sn
Ba Zn Sn Sn 0 2 o o o 0 3 o o o 0 1 o o + 0 1 o o o 1 2 o o - 1 2 o o o 1 2 o - - 1 3 - o - 1 3 o o - 1 3 o o o 
BaZnSn2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a water-like geometry to two equivalent Zn(1) and two equivalent Sn(1) atoms. There is one shorter (2.99 Å) and one longer (3.42 Å) Ba(1)-Zn(1) bond length. Both Ba(1)-Sn(1) bond lengths are 1.58 Å. Zn(1) is bonded to two equivalent Ba(1) and two equivalent Sn(1) atoms to form distorted corner-sharing ZnBa2Sn2 tetrahedra. Both Zn(1)-Sn(1) bond lengths are 3.08 Å. Sn(1) is bonded in a single-bond geometry to one Ba(1) and one Zn(1) atom.