data_CoNi7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi7
_chemical_formula_sum   'Co1 Ni7'
_cell_volume   80.71
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.21  0.71  0.21  1.0
  Ni  Ni2  1  0.0  0.0  0.43  1.0
  Ni  Ni3  1  0.21  0.71  0.64  1.0
  Ni  Ni4  1  0.43  0.0  0.0  1.0
  Ni  Ni5  1  0.21  0.28  0.21  1.0
  Ni  Ni6  1  0.43  0.0  0.43  1.0
  Ni  Ni7  1  0.21  0.28  0.64  1.0

data_CoNi7
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi7
_chemical_formula_sum   'Co1 Ni7'
_cell_volume   80.71
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.43  1.0
  Ni  Ni2  1  0.21  0.28  0.21  1.0
  Ni  Ni3  1  0.21  0.28  0.64  1.0
  Ni  Ni4  1  0.21  0.71  0.21  1.0
  Ni  Ni5  1  0.21  0.71  0.64  1.0
  Ni  Ni6  1  0.43  0.0  0.0  1.0
  Ni  Ni7  1  0.43  0.0  0.43  1.0

Co Ni Ni Ni Ni Ni Ni Ni
Co Ni Ni Ni Ni Ni Ni Ni 0 1 o - o 0 5 o o o 0 4 o o o 1 5 o o o 1 4 o + o 1 6 o + o 2 5 o o o 2 7 o o o 2 6 o o o 2 3 o - o 3 7 o o o 3 6 o + o 4 5 o o o 6 7 o o o 
CoNi7 crystallizes in the triclinic P1 space group. Co(1) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), one Ni(5), and one Ni(7) atom. The Co(1)-Ni(1) bond length is 2.00 Å. The Co(1)-Ni(2) bond length is 2.06 Å. The Co(1)-Ni(4) bond length is 1.79 Å. The Co(1)-Ni(5) bond length is 1.61 Å. The Co(1)-Ni(7) bond length is 2.14 Å. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one Co(1), one Ni(2), one Ni(3), one Ni(4), one Ni(5), and one Ni(6) atom. The Ni(1)-Ni(2) bond length is 2.00 Å. The Ni(1)-Ni(3) bond length is 2.06 Å. The Ni(1)-Ni(4) bond length is 1.61 Å. The Ni(1)-Ni(5) bond length is 1.81 Å. The Ni(1)-Ni(6) bond length is 1.61 Å. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Co(1), one Ni(1), one Ni(3), one Ni(5), one Ni(7), and two equivalent Ni(6) atoms. The Ni(2)-Ni(3) bond length is 2.00 Å. The Ni(2)-Ni(5) bond length is 1.61 Å. The Ni(2)-Ni(7) bond length is 1.61 Å. There is one shorter (1.79 Å) and one longer (2.41 Å) Ni(2)-Ni(6) bond length. In the third Ni site, Ni(3) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Ni(6), and one Ni(7) atom. The Ni(3)-Ni(6) bond length is 1.61 Å. The Ni(3)-Ni(7) bond length is 1.81 Å. In the fourth Ni site, Ni(4) is bonded in a 2-coordinate geometry to one Co(1), one Ni(1), and one Ni(6) atom. The Ni(4)-Ni(6) bond length is 2.06 Å. In the fifth Ni site, Ni(5) is bonded in a 3-coordinate geometry to one Co(1), one Ni(1), one Ni(2), and one Ni(6) atom. The Ni(5)-Ni(6) bond length is 2.00 Å. In the sixth Ni site, Ni(6) is bonded in a 7-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), one Ni(5), one Ni(7), and two equivalent Ni(2) atoms. The Ni(6)-Ni(7) bond length is 2.00 Å. In the seventh Ni site, Ni(7) is bonded in a 3-coordinate geometry to one Co(1), one Ni(2), one Ni(3), and one Ni(6) atom.