data_InCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu5
_chemical_formula_sum   'In1 Cu5'
_cell_volume   81.59
_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
  In  In5  1  0.51  0.51  0.47  1.0
  Cu  Cu0  1  0.0  0.0  0.65  1.0
  Cu  Cu1  1  0.0  0.0  0.29  1.0
  Cu  Cu2  1  0.51  0.51  0.33  1.0
  Cu  Cu3  1  0.51  0.51  0.6  1.0
  Cu  Cu4  1  0.0  0.0  0.0  1.0

data_InCu5
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   InCu5
_chemical_formula_sum   'In1 Cu5'
_cell_volume   81.59
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  In  In0  1  0.5  0.5  0.47  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.29  1.0
  Cu  Cu3  1  0.0  0.0  0.65  1.0
  Cu  Cu4  1  0.5  0.5  0.33  1.0
  Cu  Cu5  1  0.5  0.5  0.6  1.0

In Cu Cu Cu Cu Cu
Cu5In crystallizes in the monoclinic Cm space group. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Cu(5) and four equivalent Cu(4) atoms. The Cu(1)-Cu(5) bond length is 3.13 Å. There are a spread of Cu(1)-Cu(4) bond distances ranging from 2.13-2.22 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one Cu(5) and four equivalent Cu(3) atoms. The Cu(2)-Cu(5) bond length is 2.56 Å. There are a spread of Cu(2)-Cu(3) bond distances ranging from 2.13-2.22 Å. In the third Cu site, Cu(3) is bonded in a single-bond geometry to four equivalent Cu(2) and one In(1) atom. The Cu(3)-In(1) bond length is 1.20 Å. In the fourth Cu site, Cu(4) is bonded in a single-bond geometry to four equivalent Cu(1) and one In(1) atom. The Cu(4)-In(1) bond length is 1.20 Å. In the fifth Cu site, Cu(5) is bonded to one Cu(1), one Cu(2), and four equivalent Cu(5) atoms to form a mixture of corner and edge-sharing CuCu6 octahedra. The corner-sharing octahedra are not tilted. All Cu(5)-Cu(5) bond lengths are 3.02 Å. In(1) is bonded in a linear geometry to one Cu(3) and one Cu(4) atom.