data_Ga21Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22
_cell_length_b   8.18
_cell_length_c   9.89
_cell_angle_alpha   53.09
_cell_angle_beta   52.74
_cell_angle_gamma   74.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga21Ni5
_chemical_formula_sum   'Ga21 Ni5'
_cell_volume   418.9
_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
  Ga  Ga0  1  0.41  0.25  0.4  1.0
  Ga  Ga1  1  0.33  0.02  0.07  1.0
  Ga  Ga2  1  0.38  0.78  0.68  1.0
  Ga  Ga3  1  0.2  0.48  0.19  1.0
  Ga  Ga4  1  0.97  0.58  0.48  1.0
  Ga  Ga5  1  0.74  0.46  0.91  1.0
  Ga  Ga6  1  0.71  0.57  0.19  1.0
  Ga  Ga7  1  0.97  0.45  0.48  1.0
  Ga  Ga8  1  0.23  0.55  0.91  1.0
  Ga  Ga9  1  0.56  0.77  0.4  1.0
  Ga  Ga10  1  0.61  0.02  0.07  1.0
  Ga  Ga11  1  0.53  0.26  0.68  1.0
  Ga  Ga12  1  0.03  0.02  0.32  1.0
  Ga  Ga13  1  0.97  0.24  0.28  1.0
  Ga  Ga14  1  0.97  0.79  0.28  1.0
  Ga  Ga15  1  0.91  0.02  0.32  1.0
  Ga  Ga16  1  0.21  0.02  0.4  1.0
  Ga  Ga17  1  0.97  0.23  0.2  1.0
  Ga  Ga18  1  0.97  0.8  0.2  1.0
  Ga  Ga19  1  0.74  0.02  0.4  1.0
  Ga  Ga20  1  0.97  0.02  0.46  1.0
  Ni  Ni21  1  0.73  0.32  0.28  1.0
  Ni  Ni22  1  0.73  0.72  0.28  1.0
  Ni  Ni23  1  0.97  0.02  0.94  1.0
  Ni  Ni24  1  0.21  0.72  0.28  1.0
  Ni  Ni25  1  0.21  0.32  0.28  1.0

data_Ga21Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.18
_cell_length_b   8.18
_cell_length_c   8.22
_cell_angle_alpha   105.83
_cell_angle_beta   105.83
_cell_angle_gamma   116.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga21Ni5
_chemical_formula_sum   'Ga21 Ni5'
_cell_volume   418.9
_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
  Ga  Ga0  1  0.07  0.98  0.4  1.0
  Ga  Ga1  1  0.07  0.98  0.68  1.0
  Ga  Ga2  1  0.19  0.52  0.39  1.0
  Ga  Ga3  1  0.19  0.43  0.91  1.0
  Ga  Ga4  1  0.2  0.2  0.17  1.0
  Ga  Ga5  1  0.2  0.77  0.17  1.0
  Ga  Ga6  1  0.28  0.21  0.25  1.0
  Ga  Ga7  1  0.28  0.76  0.25  1.0
  Ga  Ga8  1  0.32  0.98  0.22  1.0
  Ga  Ga9  1  0.32  0.98  0.35  1.0
  Ga  Ga10  1  0.4  0.23  0.95  1.0
  Ga  Ga11  1  0.4  0.75  0.81  1.0
  Ga  Ga12  1  0.4  0.98  0.13  1.0
  Ga  Ga13  1  0.4  0.98  0.6  1.0
  Ga  Ga14  1  0.46  0.98  0.43  1.0
  Ga  Ga15  1  0.48  0.42  0.45  1.0
  Ga  Ga16  1  0.48  0.55  0.45  1.0
  Ga  Ga17  1  0.68  0.22  0.06  1.0
  Ga  Ga18  1  0.68  0.74  0.21  1.0
  Ga  Ga19  1  0.91  0.45  0.13  1.0
  Ga  Ga20  1  0.91  0.54  0.65  1.0
  Ni  Ni21  1  0.28  0.28  0.01  1.0
  Ni  Ni22  1  0.28  0.28  0.49  1.0
  Ni  Ni23  1  0.28  0.68  0.01  1.0
  Ni  Ni24  1  0.28  0.68  0.49  1.0
  Ni  Ni25  1  0.94  0.98  0.91  1.0

Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ni Ni Ni Ni Ni
Ni5Ga21 crystallizes in the triclinic P1 space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Ga(1), one Ga(12), one Ga(14), one Ga(18), one Ga(20), one Ga(6), and one Ga(7) atom. The Ni(1)-Ga(1) bond length is 2.20 Å. The Ni(1)-Ga(12) bond length is 2.97 Å. The Ni(1)-Ga(14) bond length is 1.92 Å. The Ni(1)-Ga(18) bond length is 1.74 Å. The Ni(1)-Ga(20) bond length is 1.99 Å. The Ni(1)-Ga(6) bond length is 3.05 Å. The Ni(1)-Ga(7) bond length is 1.69 Å. In the second Ni site, Ni(2) is bonded in a distorted trigonal planar geometry to one Ga(10), one Ga(11), one Ga(19), and one Ga(7) atom. The Ni(2)-Ga(10) bond length is 1.33 Å. The Ni(2)-Ga(11) bond length is 2.51 Å. The Ni(2)-Ga(19) bond length is 1.78 Å. The Ni(2)-Ga(7) bond length is 1.94 Å. In the third Ni site, Ni(3) is bonded in a distorted water-like geometry to one Ga(11) and one Ga(19) atom. The Ni(3)-Ga(11) bond length is 2.39 Å. The Ni(3)-Ga(19) bond length is 2.07 Å. In the fourth Ni site, Ni(4) is bonded in a 3-coordinate geometry to one Ga(15), one Ga(2), and one Ga(5) atom. The Ni(4)-Ga(15) bond length is 1.91 Å. The Ni(4)-Ga(2) bond length is 2.00 Å. The Ni(4)-Ga(5) bond length is 1.70 Å. In the fifth Ni site, Ni(5) is bonded in a distorted single-bond geometry to one Ga(1), one Ga(17), and one Ga(4) atom. The Ni(5)-Ga(1) bond length is 2.28 Å. The Ni(5)-Ga(17) bond length is 1.99 Å. The Ni(5)-Ga(4) bond length is 1.10 Å. There are twenty-one inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1), one Ni(5), and one Ga(3) atom. The Ga(1)-Ga(3) bond length is 3.02 Å. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to one Ni(4), one Ga(11), one Ga(12), and one Ga(13) atom. The Ga(2)-Ga(11) bond length is 2.34 Å. The Ga(2)-Ga(12) bond length is 2.54 Å. The Ga(2)-Ga(13) bond length is 2.16 Å. In the third Ga site, Ga(3) is bonded in a 4-coordinate geometry to one Ga(1), one Ga(10), one Ga(20), and one Ga(9) atom. The Ga(3)-Ga(10) bond length is 2.32 Å. The Ga(3)-Ga(20) bond length is 2.58 Å. The Ga(3)-Ga(9) bond length is 1.74 Å. In the fourth Ga site, Ga(4) is bonded in a single-bond geometry to one Ni(5) and one Ga(9) atom. The Ga(4)-Ga(9) bond length is 2.34 Å. In the fifth Ga site, Ga(5) is bonded in a 3-coordinate geometry to one Ni(4), one Ga(15), one Ga(6), and one Ga(8) atom. The Ga(5)-Ga(15) bond length is 1.66 Å. The Ga(5)-Ga(6) bond length is 2.94 Å. The Ga(5)-Ga(8) bond length is 1.13 Å. In the sixth Ga site, Ga(6) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one Ga(5) atom. In the seventh Ga site, Ga(7) is bonded in a bent 120 degrees geometry to one Ni(1) and one Ni(2) atom. In the eighth Ga site, Ga(8) is bonded in a distorted single-bond geometry to one Ga(5) atom. In the ninth Ga site, Ga(9) is bonded in a 3-coordinate geometry to one Ga(18), one Ga(3), and one Ga(4) atom. The Ga(9)-Ga(18) bond length is 2.48 Å. In the tenth Ga site, Ga(10) is bonded in a single-bond geometry to one Ni(2), one Ga(11), and one Ga(3) atom. The Ga(10)-Ga(11) bond length is 2.37 Å. In the eleventh Ga site, Ga(11) is bonded in a 4-coordinate geometry to one Ni(2), one Ni(3), one Ga(10), and one Ga(2) atom. In the twelfth Ga site, Ga(12) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one Ga(2) atom. In the thirteenth Ga site, Ga(13) is bonded in a distorted water-like geometry to one Ga(16), one Ga(2), and one Ga(21) atom. The Ga(13)-Ga(16) bond length is 1.03 Å. The Ga(13)-Ga(21) bond length is 1.17 Å. In the fourteenth Ga site, Ga(14) is bonded in a distorted single-bond geometry to one Ni(1) and one Ga(18) atom. The Ga(14)-Ga(18) bond length is 0.87 Å. In the fifteenth Ga site, Ga(15) is bonded in a distorted single-bond geometry to one Ni(4), one Ga(19), and one Ga(5) atom. The Ga(15)-Ga(19) bond length is 0.80 Å. In the sixteenth Ga site, Ga(16) is bonded in a 2-coordinate geometry to one Ga(13) and one Ga(20) atom. The Ga(16)-Ga(20) bond length is 1.13 Å. In the seventeenth Ga site, Ga(17) is bonded in a 2-coordinate geometry to one Ni(5) and one Ga(21) atom. The Ga(17)-Ga(21) bond length is 1.64 Å. In the eighteenth Ga site, Ga(18) is bonded in a distorted single-bond geometry to one Ni(1), one Ga(14), and one Ga(9) atom. In the nineteenth Ga site, Ga(19) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one Ga(15) atom. In the twentieth Ga site, Ga(20) is bonded in a 2-coordinate geometry to one Ni(1), one Ga(16), and one Ga(3) atom. In the twenty-first Ga site, Ga(21) is bonded in a distorted single-bond geometry to one Ga(13) and one Ga(17) atom.