data_CuAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   150.71
_cell_angle_beta   136.33
_cell_angle_gamma   53.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsCl2
_chemical_formula_sum   'Cu1 As1 Cl2'
_cell_volume   97.03
_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
  Cu  Cu3  1  0.0  0.0  0.56  1.0
  As  As0  1  0.0  0.46  0.39  1.0
  Cl  Cl1  1  0.0  0.0  0.81  1.0
  Cl  Cl2  1  0.67  0.0  0.04  1.0

data_CuAsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.92
_cell_length_c   6.61
_cell_angle_alpha   111.83
_cell_angle_beta   104.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsCl2
_chemical_formula_sum   'Cu1 As1 Cl2'
_cell_volume   97.03
_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
  Cu  Cu0  1  0.44  0.44  0.44  1.0
  As  As1  1  0.61  0.07  0.07  1.0
  Cl  Cl2  1  0.19  0.19  0.19  1.0
  Cl  Cl3  1  0.63  0.96  0.63  1.0

Cu As Cl Cl
Cu As Cl Cl 0 2 o o o 0 3 - o o 1 2 o + o 1 2 o o - 1 3 - o o 
CuAsCl2 crystallizes in the triclinic P1 space group. Cu(1) is bonded in a 2-coordinate geometry to one Cl(1) and two equivalent Cl(2) atoms. The Cu(1)-Cl(1) bond length is 1.66 Å. There is one shorter (2.40 Å) and one longer (3.06 Å) Cu(1)-Cl(2) bond length. As(1) is bonded in a 3-coordinate geometry to one Cl(2) and two equivalent Cl(1) atoms. The As(1)-Cl(2) bond length is 2.76 Å. There is one shorter (1.78 Å) and one longer (1.88 Å) As(1)-Cl(1) bond length. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent As(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one As(1) atom.