data_CuH3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   3.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH3Cl
_chemical_formula_sum   'Cu1 H3 Cl1'
_cell_volume   44.85
_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  0.78  0.78  0.78  1.0
  H  H0  1  0.78  0.0  0.78  1.0
  H  H1  1  0.78  0.78  0.0  1.0
  H  H2  1  0.0  0.78  0.78  1.0
  Cl  Cl4  1  0.0  0.0  0.0  1.0

data_CuH3Cl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CuH3Cl
_chemical_formula_sum   'Cu3 H9 Cl3'
_cell_volume   134.55
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.78  1.0
  H  H1  9  0.15  0.07  0.85  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0

Cu H H H Cl
Cu H H H Cl 0 1 o + o 0 2 o o + 0 3 + o o 1 4 + o + 2 4 + + o 3 4 o + + 
CuH3Cl is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three CuH3Cl clusters. Cu(1) is bonded in a distorted T-shaped geometry to three equivalent H(1) atoms. All Cu(1)-H(1) bond lengths are 0.79 Å. H(1) is bonded in an L-shaped geometry to one Cu(1) and one Cl(1) atom. The H(1)-Cl(1) bond length is 1.12 Å. Cl(1) is bonded in a 3-coordinate geometry to three equivalent H(1) atoms.