data_Cu7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   11.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu7Ni
_chemical_formula_sum   'Cu7 Ni1'
_cell_volume   87.81
_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  0.4  0.4  0.4  1.0
  Cu  Cu1  1  0.0  0.0  0.8  1.0
  Cu  Cu2  1  0.4  0.4  0.2  1.0
  Cu  Cu3  1  0.0  0.0  0.6  1.0
  Cu  Cu4  1  0.4  0.4  0.0  1.0
  Cu  Cu5  1  0.0  0.0  0.4  1.0
  Cu  Cu6  1  0.4  0.4  0.8  1.0
  Ni  Ni7  1  0.0  0.0  0.0  1.0

data_Cu7Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   11.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu7Ni
_chemical_formula_sum   'Cu14 Ni2'
_cell_volume   175.62
_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  0.0  0.0  0.4  1.0
  Cu  Cu1  2  0.0  0.0  0.6  1.0
  Cu  Cu2  2  0.0  0.0  0.8  1.0
  Cu  Cu3  2  0.4  0.0  0.0  1.0
  Cu  Cu4  2  0.4  0.0  0.2  1.0
  Cu  Cu5  2  0.4  0.0  0.4  1.0
  Cu  Cu6  2  0.4  0.0  0.8  1.0
  Ni  Ni7  2  0.0  0.0  0.0  1.0

Cu Cu Cu Cu Cu Cu Cu Ni
NiCu7 is Krennerite-like structured and crystallizes in the monoclinic Cm space group. Ni(1) is bonded in a 5-coordinate geometry to one Cu(2) and four equivalent Cu(5) atoms. The Ni(1)-Cu(2) bond length is 2.24 Å. There are a spread of Ni(1)-Cu(5) bond distances ranging from 1.58-2.38 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1,6) is bonded in a 5-coordinate geometry to one Cu(3) and four equivalent Cu(1,6) atoms. The Cu(1,6)-Cu(3) bond length is 2.24 Å. There are a spread of Cu(1,6)-Cu(1,6) bond distances ranging from 1.58-2.38 Å. In the second Cu site, Cu(2) is bonded to one Ni(1), one Cu(4), and four equivalent Cu(7) atoms to form distorted CuCu5Ni octahedra that share corners with four equivalent Cu(2)Cu5Ni octahedra, edges with four equivalent Cu(5)Cu2Ni4 octahedra, and edges with four equivalent Cu(2)Cu5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-23°. The Cu(2)-Cu(4) bond length is 2.24 Å. There are a spread of Cu(2)-Cu(7) bond distances ranging from 1.58-2.38 Å. In the third Cu site, Cu(3) is bonded in a 2-coordinate geometry to one Cu(1,6) and one Cu(5) atom. The Cu(3)-Cu(5) bond length is 2.24 Å. In the fourth Cu site, Cu(4) is bonded in a 2-coordinate geometry to one Cu(1,6) and one Cu(2) atom. The Cu(4)-Cu(1,6) bond length is 2.24 Å. In the fifth Cu site, Cu(5) is bonded to four equivalent Ni(1), one Cu(3), and one Cu(7) atom to form distorted CuCu2Ni4 octahedra that share corners with four equivalent Cu(5)Cu2Ni4 octahedra, edges with four equivalent Cu(5)Cu2Ni4 octahedra, and edges with four equivalent Cu(2)Cu5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-23°. The Cu(5)-Cu(7) bond length is 2.24 Å. In the sixth Cu site, Cu(7) is bonded in a 5-coordinate geometry to one Cu(5) and four equivalent Cu(2) atoms.