data_SrCaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   3.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaCl2
_chemical_formula_sum   'Sr1 Ca1 Cl2'
_cell_volume   115.06
_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
  Sr  Sr3  1  0.63  0.0  0.0  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.81  0.18  0.82  1.0
  Cl  Cl2  1  0.81  0.82  0.82  1.0

data_SrCaCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   100.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaCl2
_chemical_formula_sum   'Sr1 Ca1 Cl2'
_cell_volume   115.06
_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
  Sr  Sr0  1  0.0  0.63  0.0  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.82  0.81  0.18  1.0
  Cl  Cl3  1  0.82  0.81  0.82  1.0

Sr Ca Cl Cl
Sr Ca Cl Cl 0 3 o - - 0 2 o o - 1 3 - - - 1 2 - o - 
SrCaCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrCaCl2 cluster. Sr(1) is bonded in a 2-coordinate geometry to one Cl(1) and one Cl(2) atom. The Sr(1)-Cl(1) bond length is 1.48 Å. The Sr(1)-Cl(2) bond length is 1.72 Å. Ca(1) is bonded in a 2-coordinate geometry to one Cl(1) and one Cl(2) atom. The Ca(1)-Cl(1) bond length is 1.72 Å. The Ca(1)-Cl(2) bond length is 1.48 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted L-shaped geometry to one Sr(1) and one Ca(1) atom. In the second Cl site, Cl(2) is bonded in a distorted L-shaped geometry to one Sr(1) and one Ca(1) atom.