data_CuAs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAs2Cl
_chemical_formula_sum   'Cu1 As2 Cl1'
_cell_volume   71.32
_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  0.48  0.48  0.0  1.0
  As  As0  1  0.48  0.0  0.44  1.0
  As  As1  1  0.0  0.48  0.44  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_CuAs2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuAs2Cl
_chemical_formula_sum   'Cu2 As4 Cl2'
_cell_volume   142.65
_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
  Cu  Cu0  2  0.48  0.0  0.0  1.0
  As  As1  4  0.24  0.24  0.44  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Cu As As Cl
Cu As As Cl 0 2 o o - 0 2 o o o 0 2 + o - 0 2 + o o 0 1 o o - 0 1 o o o 0 1 o + - 0 1 o + o 0 0 o o + 1 3 o o o 1 3 o o + 1 3 + o o 1 3 + o + 1 1 o o + 2 3 o o o 2 3 o o + 2 3 o + o 2 3 o + + 2 2 o o + 3 3 o o + 
CuAs2Cl crystallizes in the monoclinic Cm space group. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Cu(1) and eight equivalent As(1) atoms. Both Cu(1)-Cu(1) bond lengths are 2.89 Å. There are a spread of Cu(1)-As(1) bond distances ranging from 2.73-3.02 Å. As(1) is bonded in a 10-coordinate geometry to four equivalent Cu(1), two equivalent As(1), and four equivalent Cl(1) atoms. Both As(1)-As(1) bond lengths are 2.89 Å. There are a spread of As(1)-Cl(1) bond distances ranging from 2.73-3.02 Å. Cl(1) is bonded in a 6-coordinate geometry to eight equivalent As(1) atoms.