data_Ba2CaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaSn
_chemical_formula_sum   'Ba2 Ca1 Sn1'
_cell_volume   182.23
_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  0.89  1.0
  Ba  Ba1  1  0.07  0.07  0.96  1.0
  Ca  Ca2  1  0.0  0.0  0.11  1.0
  Sn  Sn3  1  0.07  0.07  0.7  1.0

data_Ba2CaSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2CaSn
_chemical_formula_sum   'Ba4 Ca2 Sn2'
_cell_volume   364.46
_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  0.0  0.0  0.89  1.0
  Ba  Ba1  2  0.07  0.0  0.96  1.0
  Ca  Ca2  2  0.0  0.0  0.11  1.0
  Sn  Sn3  2  0.07  0.0  0.7  1.0

Ba Ba Ca Sn
Ba2CaSn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2CaSn clusters. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a bent 150 degrees geometry to one Ba(2) and one Sn(1) atom. The Ba(1)-Ba(2) bond length is 0.85 Å. The Ba(1)-Sn(1) bond length is 2.10 Å. In the second Ba site, Ba(2) is bonded in a bent 150 degrees geometry to one Ba(1) and one Ca(1) atom. The Ba(2)-Ca(1) bond length is 1.57 Å. Ca(1) is bonded in a single-bond geometry to one Ba(2) atom. Sn(1) is bonded in a single-bond geometry to one Ba(1) atom.