data_BaSr2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2In
_chemical_formula_sum   'Ba1 Sr2 In1'
_cell_volume   187.13
_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
  Ba  Ba0  1  0.13  0.13  0.77  1.0
  Sr  Sr2  1  0.13  0.13  0.69  1.0
  Sr  Sr3  1  0.0  0.0  0.42  1.0
  In  In1  1  0.0  0.0  0.9  1.0

data_BaSr2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSr2In
_chemical_formula_sum   'Ba2 Sr4 In2'
_cell_volume   374.27
_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  0.13  0.0  0.77  1.0
  Sr  Sr1  2  0.0  0.0  0.42  1.0
  Sr  Sr2  2  0.13  0.0  0.69  1.0
  In  In3  2  0.0  0.0  0.9  1.0

Ba Sr Sr In
Ba Sr Sr In 0 1 o o o 0 3 o o o 1 2 o o o 
BaSr2In crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaSr2In clusters. Ba(1) is bonded in a bent 150 degrees geometry to one Sr(1) and one In(1) atom. The Ba(1)-Sr(1) bond length is 0.82 Å. The Ba(1)-In(1) bond length is 1.57 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Ba(1) and one Sr(2) atom. The Sr(1)-Sr(2) bond length is 2.88 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one Sr(1) atom. In(1) is bonded in a single-bond geometry to one Ba(1) atom.