data_Ca2BiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BiCl
_chemical_formula_sum   'Ca2 Bi1 Cl1'
_cell_volume   129.14
_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
  Ca  Ca1  1  0.0  0.0  0.31  1.0
  Ca  Ca2  1  0.84  0.84  0.21  1.0
  Bi  Bi0  1  0.84  0.84  0.14  1.0
  Cl  Cl3  1  0.0  0.0  0.19  1.0

data_Ca2BiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2BiCl
_chemical_formula_sum   'Ca4 Bi2 Cl2'
_cell_volume   258.27
_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
  Ca  Ca0  2  0.0  0.0  0.31  1.0
  Ca  Ca1  2  0.34  0.5  0.21  1.0
  Bi  Bi2  2  0.34  0.5  0.14  1.0
  Cl  Cl3  2  0.0  0.0  0.19  1.0

Ca Ca Bi Cl
Ca Ca Bi Cl 0 1 - - o 0 3 o o o 1 2 o o o 1 3 + + o 2 3 + + o 
Ca2BiCl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ca2BiCl clusters. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a single-bond geometry to one Cl(1) atom. The Ca(1)-Cl(1) bond length is 1.16 Å. In the second Ca site, Ca(2) is bonded in a distorted L-shaped geometry to one Bi(1) and one Cl(1) atom. The Ca(2)-Bi(1) bond length is 0.66 Å. The Ca(2)-Cl(1) bond length is 0.85 Å. Bi(1) is bonded in a distorted single-bond geometry to one Ca(2) atom. Cl(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Ca(2) atom.