data_3D\Atomistic\(5
_audit_creation_method 'Materials Studio'
_audit_creation_date	2021-07-18
_audit_update_record	2021-07-18
_chemical_formula_sum	'Sb2 C60 N6'
_chemical_formula_weight	1048.200
_cell_length_a	 7.0000
_cell_length_b	26.0000
_cell_length_c	26.0000
_cell_angle_alpha	120.000
_cell_angle_beta	90.000
_cell_angle_gamma	90.000
_cell_volume	4098.0
_symmetry_int_tables_number	1
_symmetry_space_group_name_H-M	'P 1'
_symmetry_space_group_name_Hall	'P_1'

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Sb	?	?
C	?	?
N	?	?


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
Sb1 Sb -1.3660  0.3428 -1.3494  1.000 1 a ? d Uani  0.02263
C2 C -1.2227  0.3820 -1.2649  1.000 1 a ? d Uani  0.02643
C3 C -1.2521  0.4421 -1.2239  1.000 1 a ? d Uani  0.02905
C4 C -1.1409  0.4706 -1.1724  1.000 1 a ? d Uani  0.02490
C5 C -0.9993  0.4391 -1.1617  1.000 1 a ? d Uani  0.02672
C6 C -0.9747  0.3784 -1.2018  1.000 1 a ? d Uani  0.02694
C7 C -1.0866  0.3500 -1.2530  1.000 1 a ? d Uani  0.02854
C8 C -1.1868  0.2655 -1.3939  1.000 1 a ? d Uani  0.02796
C9 C -1.2653  0.2119 -1.4377  1.000 1 a ? d Uani  0.02634
C10 C -1.1498  0.1614 -1.4675  1.000 1 a ? d Uani  0.03072
C11 C -0.9557  0.1642 -1.4536  1.000 1 a ? d Uani  0.02711
C12 C -0.8764  0.2182 -1.4105  1.000 1 a ? d Uani  0.03023
C13 C -0.9913  0.2687 -1.3813  1.000 1 a ? d Uani  0.03090
C14 C -1.1849  0.3874 -1.3813  1.000 1 a ? d Uani  0.02435
C15 C -1.2017  0.3750 -1.4400  1.000 1 a ? d Uani  0.02849
C16 C -1.0737  0.4003 -1.4624  1.000 1 a ? d Uani  0.03060
C17 C -0.9278  0.4380 -1.4260  1.000 1 a ? d Uani  0.02813
C18 C -0.9124  0.4505 -1.3673  1.000 1 a ? d Uani  0.02895
C19 C -1.0402  0.4253 -1.3450  1.000 1 a ? d Uani  0.02803
N20 N -0.7882  0.4523 -1.5029  1.000 1 a ? d Uiso  0.00000
C21 C -0.7847  0.4627 -1.4487  1.000 1 a ? d Uiso  0.00000
C22 C -0.2562  0.0071 -1.4921  1.000 1 a ? d Uiso  0.00000
C23 C -0.3778  0.0563 -1.4656  1.000 1 a ? d Uiso  0.00000
C24 C -0.5486  0.0567 -1.4933  1.000 1 a ? d Uiso  0.00000
C25 C -0.5971  0.0071 -1.5481  1.000 1 a ? d Uiso  0.00000
C26 C -0.4756 -0.0421 -1.5746  1.000 1 a ? d Uiso  0.00000
C27 C -0.3047 -0.0425 -1.5469  1.000 1 a ? d Uiso  0.00000
N28 N -0.1850 -0.0940 -1.5748  1.000 1 a ? d Uiso  0.00000
N29 N -0.6686  0.1082 -1.4653  1.000 1 a ? d Uiso  0.00000
C30 C -0.8393  0.1101 -1.4837  1.000 1 a ? d Uiso  0.00000
C31 C -0.0140 -0.0958 -1.5566  1.000 1 a ? d Uiso  0.00000
C32 C  0.1017 -0.1501 -1.5864  1.000 1 a ? d Uiso  0.00000
Sb33 Sb  0.5065 -0.3303 -1.6873  1.000 1 a ? d Uani  0.02263
C34 C  0.3302 -0.2522 -1.6446  1.000 1 a ? d Uani  0.02643
C35 C  0.4100 -0.1984 -1.6017  1.000 1 a ? d Uani  0.02905
C36 C  0.2958 -0.1476 -1.5725  1.000 1 a ? d Uani  0.02490
C37 C  0.0211 -0.2043 -1.6286  1.000 1 a ? d Uani  0.02694
C38 C  0.1347 -0.2552 -1.6571  1.000 1 a ? d Uani  0.02854
C39 C  0.3588 -0.3719 -1.7711  1.000 1 a ? d Uani  0.02796
C40 C  0.3813 -0.4329 -1.8097  1.000 1 a ? d Uani  0.02634
C41 C  0.2676 -0.4624 -1.8606  1.000 1 a ? d Uani  0.03072
C42 C  0.1302 -0.4310 -1.8730  1.000 1 a ? d Uani  0.02711
C43 C  0.1124 -0.3695 -1.8353  1.000 1 a ? d Uani  0.03023
C44 C  0.2269 -0.3401 -1.7848  1.000 1 a ? d Uani  0.03090
C45 C  0.3249 -0.3713 -1.6517  1.000 1 a ? d Uani  0.02435
C46 C  0.1667 -0.4045 -1.6840  1.000 1 a ? d Uani  0.02849
C47 C  0.0388 -0.4268 -1.6589  1.000 1 a ? d Uani  0.03060
C48 C  0.0678 -0.4158 -1.6009  1.000 1 a ? d Uani  0.02813
C49 C  0.2267 -0.3828 -1.5686  1.000 1 a ? d Uani  0.02895
C50 C  0.3549 -0.3604 -1.5939  1.000 1 a ? d Uani  0.02803
C51 C -0.3455 -0.4741 -1.5161  1.000 1 a ? d Uiso  0.00000
C52 C -0.4853 -0.4941 -1.4920  1.000 1 a ? d Uiso  0.00000
C53 C -0.6451 -0.5254 -1.5260  1.000 1 a ? d Uiso  0.00000
C54 C -0.6626 -0.5363 -1.5842  1.000 1 a ? d Uiso  0.00000
C55 C -0.5227 -0.5162 -1.6083  1.000 1 a ? d Uiso  0.00000
C56 C -0.3634 -0.4851 -1.5746  1.000 1 a ? d Uiso  0.00000
N57 N -0.2232 -0.4648 -1.6004  1.000 1 a ? d Uiso  0.00000
C58 C -0.0697 -0.4366 -1.5728  1.000 1 a ? d Uiso  0.00000
C59 C -0.4538 -0.4361 -1.9745  1.000 1 a ? d Uiso  0.00000
C60 C -0.2930 -0.4677 -1.9738  1.000 1 a ? d Uiso  0.00000
C61 C -0.2755 -0.5281 -2.0165  1.000 1 a ? d Uiso  0.00000
N62 N -0.1529 -0.4377 -1.9283  1.000 1 a ? d Uiso  0.00000
C63 C -0.0035 -0.4637 -1.9222  1.000 1 a ? d Uiso  0.00000
C64 C -0.5955  0.5357 -1.0175  1.000 1 a ? d Uiso  0.00000
C65 C -0.4171  0.4437 -1.0596  1.000 1 a ? d Uiso  0.00000
C66 C -0.5779  0.4752 -1.0603  1.000 1 a ? d Uiso  0.00000
N67 N -0.7169  0.4455 -1.1062  1.000 1 a ? d Uiso  0.00000
C68 C -0.8678  0.4713 -1.1117  1.000 1 a ? d Uiso  0.00000



loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sb1 C8 . .  2.1510 no
Sb1 C2 . .  2.1530 no
Sb1 C14 . .  2.1430 no
C2 C3 . .  1.4000 no
C2 C7 . .  1.3970 no
C3 C4 . .  1.3990 no
C4 C5 . .  1.3990 no
C5 C6 . .  1.4010 no
C5 C68 . .  1.4660 no
C6 C7 . .  1.3950 no
C8 C13 . .  1.4000 no
C8 C9 . .  1.3980 no
C9 C10 . .  1.3990 no
C10 C11 . .  1.3990 no
C11 C12 . .  1.4010 no
C11 C30 . .  1.4670 no
C12 C13 . .  1.3970 no
C14 C15 . .  1.3990 no
C14 C19 . .  1.3980 no
C15 C16 . .  1.3990 no
C16 C17 . .  1.4030 no
C17 C18 . .  1.3970 no
C17 C21 . .  1.4640 no
C18 C19 . .  1.3950 no
N20 C21 . .  1.2960 no
N20 C53 . 1_565  1.4320 no
C22 C23 . .  1.3980 no
C22 C27 . .  1.4040 no
C23 C24 . .  1.3990 no
C24 C25 . .  1.4040 no
C24 N29 . .  1.4320 no
C25 C26 . .  1.3980 no
C26 C27 . .  1.3990 no
C27 N28 . .  1.4320 no
N28 C31 . .  1.2970 no
N29 C30 . .  1.2970 no
C31 C32 . .  1.4670 no
C32 C36 . .  1.3990 no
C32 C37 . .  1.4010 no
Sb33 C39 . .  2.1530 no
Sb33 C34 . .  2.1510 no
Sb33 C45 . .  2.1430 no
C34 C35 . .  1.3980 no
C34 C38 . .  1.4000 no
C35 C36 . .  1.3990 no
C37 C38 . .  1.3960 no
C39 C44 . .  1.3970 no
C39 C40 . .  1.4000 no
C40 C41 . .  1.3990 no
C41 C42 . .  1.3990 no
C42 C43 . .  1.4010 no
C42 C63 . .  1.4660 no
C43 C44 . .  1.3950 no
C45 C46 . .  1.3980 no
C45 C50 . .  1.3990 no
C46 C47 . .  1.3950 no
C47 C48 . .  1.4010 no
C48 C49 . .  1.4000 no
C48 C58 . .  1.4650 no
C49 C50 . .  1.3990 no
C51 C52 . .  1.3960 no
C51 C56 . .  1.4040 no
C52 C53 . .  1.4050 no
C53 C54 . .  1.3980 no
C53 N20 . 1_545  1.4320 no
C54 C55 . .  1.3980 no
C55 C56 . .  1.3990 no
C56 N57 . .  1.4310 no
N57 C58 . .  1.2970 no
C59 C60 . .  1.3980 no
C59 C64 . 1_544  1.3970 no
C60 C61 . .  1.4040 no
C60 N62 . .  1.4310 no
C61 C65 . 1_544  1.3970 no
N62 C63 . .  1.2970 no
C64 C66 . .  1.4040 no
C64 C59 . 1_566  1.3970 no
C65 C66 . .  1.3980 no
C65 C61 . 1_566  1.3970 no
C66 N67 . .  1.4310 no
N67 C68 . .  1.2970 no
