data_Nd2Co17N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.43
_cell_angle_alpha   95.99
_cell_angle_beta   95.99
_cell_angle_gamma   84.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Co17N2
_chemical_formula_sum   'Nd2 Co17 N2'
_cell_volume   257.01
_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
  Nd  Nd0  1  0.39  0.0  0.32  1.0
  Nd  Nd1  1  0.16  0.0  0.05  1.0
  Co  Co2  1  0.06  0.0  0.86  1.0
  Co  Co3  1  0.49  0.0  0.5  1.0
  Co  Co4  1  0.69  0.0  0.02  1.0
  Co  Co5  1  0.56  0.23  1.0  1.0
  Co  Co6  1  0.56  0.77  1.0  1.0
  Co  Co7  1  0.86  0.0  0.34  1.0
  Co  Co8  1  0.99  0.77  0.37  1.0
  Co  Co9  1  0.99  0.23  0.37  1.0
  Co  Co10  1  0.28  0.87  0.18  1.0
  Co  Co11  1  0.9  0.19  0.41  1.0
  Co  Co12  1  0.65  0.19  0.96  1.0
  Co  Co13  1  0.65  0.81  0.96  1.0
  Co  Co14  1  0.9  0.81  0.41  1.0
  Co  Co15  1  0.28  0.13  0.18  1.0
  Co  Co16  1  0.0  0.0  0.0  1.0
  Co  Co17  1  0.91  0.14  0.18  1.0
  Co  Co18  1  0.91  0.86  0.18  1.0
  N  N19  1  0.36  0.86  0.0  1.0
  N  N20  1  0.36  0.14  0.0  1.0

data_Nd2Co17N2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.43
_cell_angle_alpha   84.01
_cell_angle_beta   84.01
_cell_angle_gamma   84.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Co17N2
_chemical_formula_sum   'Nd2 Co17 N2'
_cell_volume   257.01
_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
  Nd  Nd0  1  0.61  0.0  0.32  1.0
  Nd  Nd1  1  0.84  0.0  0.05  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.01  0.23  0.37  1.0
  Co  Co4  1  0.01  0.77  0.37  1.0
  Co  Co5  1  0.09  0.14  0.18  1.0
  Co  Co6  1  0.09  0.86  0.18  1.0
  Co  Co7  1  0.1  0.19  0.41  1.0
  Co  Co8  1  0.1  0.81  0.41  1.0
  Co  Co9  1  0.14  0.0  0.34  1.0
  Co  Co10  1  0.31  0.0  0.02  1.0
  Co  Co11  1  0.35  0.19  0.96  1.0
  Co  Co12  1  0.35  0.81  0.96  1.0
  Co  Co13  1  0.44  0.23  1.0  1.0
  Co  Co14  1  0.44  0.77  1.0  1.0
  Co  Co15  1  0.51  0.0  0.5  1.0
  Co  Co16  1  0.72  0.13  0.18  1.0
  Co  Co17  1  0.72  0.87  0.18  1.0
  Co  Co18  1  0.94  0.0  0.86  1.0
  N  N19  1  0.64  0.14  -0.0  1.0
  N  N20  1  0.64  0.86  -0.0  1.0

Nd Nd Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co N N
Nd2Co17N2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Nd2Co17N2 cluster. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 3-coordinate geometry to one Co(14), one Co(2), and one Co(9) atom. The Nd(1)-Co(14) bond length is 1.38 Å. The Nd(1)-Co(2) bond length is 1.27 Å. The Nd(1)-Co(9) bond length is 1.36 Å. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one Co(1), one Co(14), one Co(15), one Co(9), one N(1), and one N(2) atom. The Nd(2)-Co(1) bond length is 1.27 Å. The Nd(2)-Co(14) bond length is 1.36 Å. The Nd(2)-Co(15) bond length is 1.02 Å. The Nd(2)-Co(9) bond length is 1.38 Å. The Nd(2)-N(1) bond length is 1.54 Å. The Nd(2)-N(2) bond length is 1.71 Å. There are seventeen inequivalent Co sites. In the first Co site, Co(1) is bonded in a 1-coordinate geometry to one Nd(2) atom. In the second Co site, Co(2) is bonded in a single-bond geometry to one Nd(1) atom. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one Co(11) and one Co(12) atom. The Co(3)-Co(11) bond length is 1.35 Å. The Co(3)-Co(12) bond length is 1.31 Å. In the fourth Co site, Co(4) is bonded in a 2-coordinate geometry to one Co(11) and one N(2) atom. The Co(4)-Co(11) bond length is 0.67 Å. The Co(4)-N(2) bond length is 1.42 Å. In the fifth Co site, Co(5) is bonded in a distorted bent 120 degrees geometry to one Co(12) and one N(1) atom. The Co(5)-Co(12) bond length is 0.73 Å. The Co(5)-N(1) bond length is 1.31 Å. In the sixth Co site, Co(6) is bonded in a 4-coordinate geometry to one Co(10), one Co(13), one Co(16), and one Co(17) atom. The Co(6)-Co(10) bond length is 1.31 Å. The Co(6)-Co(13) bond length is 1.35 Å. The Co(6)-Co(16) bond length is 1.48 Å. The Co(6)-Co(17) bond length is 1.30 Å. In the seventh Co site, Co(7) is bonded in a distorted single-bond geometry to one Co(13) atom. The Co(7)-Co(13) bond length is 0.67 Å. In the eighth Co site, Co(8) is bonded in a 2-coordinate geometry to one Co(10) and one Co(16) atom. The Co(8)-Co(10) bond length is 0.73 Å. The Co(8)-Co(16) bond length is 1.34 Å. In the ninth Co site, Co(9) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one N(1) atom. The Co(9)-N(1) bond length is 1.35 Å. In the tenth Co site, Co(10) is bonded in a distorted bent 120 degrees geometry to one Co(6) and one Co(8) atom. In the eleventh Co site, Co(11) is bonded in a distorted water-like geometry to one Co(3) and one Co(4) atom. In the twelfth Co site, Co(12) is bonded in a bent 120 degrees geometry to one Co(3) and one Co(5) atom. In the thirteenth Co site, Co(13) is bonded in a distorted water-like geometry to one Co(6) and one Co(7) atom. In the fourteenth Co site, Co(14) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one N(2) atom. The Co(14)-N(2) bond length is 1.35 Å. In the fifteenth Co site, Co(15) is bonded in a single-bond geometry to one Nd(2) and one Co(16) atom. The Co(15)-Co(16) bond length is 1.50 Å. In the sixteenth Co site, Co(16) is bonded in a 3-coordinate geometry to one Co(15), one Co(6), and one Co(8) atom. In the seventeenth Co site, Co(17) is bonded in a 1-coordinate geometry to one Co(6) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Nd(2), one Co(5), and one Co(9) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Nd(2), one Co(14), and one Co(4) atom.