data_Ca2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   10.31
_cell_angle_alpha   128.35
_cell_angle_beta   128.35
_cell_angle_gamma   31.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Cl
_chemical_formula_sum   'Ca4 Cl2'
_cell_volume   200.22
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.29  0.0  0.77  1.0
  Ca  Ca1  1  0.1  0.0  0.59  1.0
  Ca  Ca2  1  0.66  0.0  0.3  1.0
  Ca  Ca3  1  0.48  0.0  0.11  1.0
  Cl  Cl4  1  0.94  0.0  0.25  1.0
  Cl  Cl5  1  0.83  0.0  0.64  1.0

data_Ca2Cl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.79
_cell_length_b   6.97
_cell_length_c   8.11
_cell_angle_alpha   85.95
_cell_angle_beta   76.5
_cell_angle_gamma   74.24
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ca2Cl
_chemical_formula_sum   'Ca4 Cl2'
_cell_volume   200.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ca  Ca0  2  0.0  0.08  0.14  1.0
  Ca  Ca1  2  0.0  0.08  0.33  1.0
  Cl  Cl2  2  0.0  0.25  0.8  1.0

Ca Ca Ca Ca Cl Cl
Ca Ca Ca Ca Cl Cl 0 1 o o o 0 5 - o o 1 5 - o o 2 3 o o o 2 4 o o o 3 4 o o o 
Ca2Cl crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Ca2Cl cluster. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 2-coordinate geometry to one Ca(2) and one Cl(1) atom. The Ca(1)-Ca(2) bond length is 1.48 Å. The Ca(1)-Cl(1) bond length is 2.62 Å. In the second Ca site, Ca(2) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Cl(1) atoms. There is one shorter (2.30 Å) and one longer (2.95 Å) Ca(2)-Cl(1) bond length. Cl(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ca(2) atoms.