# generated using pymatgen data_SbCNCl8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.77220900 _cell_length_b 10.34187900 _cell_length_c 22.47388658 _cell_angle_alpha 77.92623091 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbCNCl8 _chemical_formula_sum 'Sb8 C8 N8 Cl64' _cell_volume 2675.59740022 _cell_formula_units_Z 8 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 Sb Sb0 1 0.61906700 0.56361500 0.64670100 1.0 Sb Sb1 1 0.11906700 0.43638500 0.85329900 1.0 Sb Sb2 1 0.38093300 0.43638500 0.35329900 1.0 Sb Sb3 1 0.88093300 0.56361500 0.14670100 1.0 Sb Sb4 1 0.12060900 0.04793600 0.62916700 1.0 Sb Sb5 1 0.62060900 0.95206400 0.87083300 1.0 Sb Sb6 1 0.87939100 0.95206400 0.37083300 1.0 Sb Sb7 1 0.37939100 0.04793600 0.12916700 1.0 C C8 1 0.84499300 0.42566100 0.40397600 1.0 C C9 1 0.34499300 0.57433900 0.09602400 1.0 C C10 1 0.15500700 0.57433900 0.59602400 1.0 C C11 1 0.65500700 0.42566100 0.90397600 1.0 C C12 1 0.58452000 0.09120200 0.61402300 1.0 C C13 1 0.08452000 0.90879800 0.88597700 1.0 C C14 1 0.41548000 0.90879800 0.38597700 1.0 C C15 1 0.91548000 0.09120200 0.11402300 1.0 N N16 1 0.79135200 0.39680700 0.36024700 1.0 N N17 1 0.29135200 0.60319300 0.13975300 1.0 N N18 1 0.20864800 0.60319300 0.63975300 1.0 N N19 1 0.70864800 0.39680700 0.86024700 1.0 N N20 1 0.52678000 0.10351500 0.65956800 1.0 N N21 1 0.02678000 0.89648500 0.84043200 1.0 N N22 1 0.47322000 0.89648500 0.34043200 1.0 N N23 1 0.97322000 0.10351500 0.15956800 1.0 Cl Cl24 1 0.73445600 0.65703900 0.71471100 1.0 Cl Cl25 1 0.23445600 0.34296100 0.78528900 1.0 Cl Cl26 1 0.26554400 0.34296100 0.28528900 1.0 Cl Cl27 1 0.76554400 0.65703900 0.21471100 1.0 Cl Cl28 1 0.71195200 0.69706600 0.56009900 1.0 Cl Cl29 1 0.21195200 0.30293400 0.93990100 1.0 Cl Cl30 1 0.28804800 0.30293400 0.43990100 1.0 Cl Cl31 1 0.78804800 0.69706600 0.06009900 1.0 Cl Cl32 1 0.52433600 0.42658200 0.73173500 1.0 Cl Cl33 1 0.02433600 0.57341800 0.76826500 1.0 Cl Cl34 1 0.47566400 0.57341800 0.26826500 1.0 Cl Cl35 1 0.97566400 0.42658200 0.23173500 1.0 Cl Cl36 1 0.49821600 0.46895700 0.58013700 1.0 Cl Cl37 1 0.99821600 0.53104300 0.91986300 1.0 Cl Cl38 1 0.50178400 0.53104300 0.41986300 1.0 Cl Cl39 1 0.00178400 0.46895700 0.08013700 1.0 Cl Cl40 1 0.75477000 0.38878200 0.64645400 1.0 Cl Cl41 1 0.25477000 0.61121800 0.85354600 1.0 Cl Cl42 1 0.24523000 0.61121800 0.35354600 1.0 Cl Cl43 1 0.74523000 0.38878200 0.14645400 1.0 Cl Cl44 1 0.48028500 0.73595800 0.64491800 1.0 Cl Cl45 1 0.98028500 0.26404200 0.85508200 1.0 Cl Cl46 1 0.51971500 0.26404200 0.35508200 1.0 Cl Cl47 1 0.01971500 0.73595800 0.14491800 1.0 Cl Cl48 1 0.25648000 0.22312100 0.62774800 1.0 Cl Cl49 1 0.75648000 0.77687900 0.87225200 1.0 Cl Cl50 1 0.74352000 0.77687900 0.37225200 1.0 Cl Cl51 1 0.24352000 0.22312100 0.12774800 1.0 Cl Cl52 1 0.98413800 0.87311800 0.63039700 1.0 Cl Cl53 1 0.48413800 0.12688200 0.86960300 1.0 Cl Cl54 1 0.01586200 0.12688200 0.36960300 1.0 Cl Cl55 1 0.51586200 0.87311800 0.13039700 1.0 Cl Cl56 1 0.23528700 0.96073900 0.55808900 1.0 Cl Cl57 1 0.73528700 0.03926100 0.94191100 1.0 Cl Cl58 1 0.76471300 0.03926100 0.44191100 1.0 Cl Cl59 1 0.26471300 0.96073900 0.05808900 1.0 Cl Cl60 1 0.00533600 0.13615000 0.69910100 1.0 Cl Cl61 1 0.50533600 0.86385000 0.80089900 1.0 Cl Cl62 1 0.99466400 0.86385000 0.30089900 1.0 Cl Cl63 1 0.49466400 0.13615000 0.19910100 1.0 Cl Cl64 1 0.22141100 0.91261300 0.71181600 1.0 Cl Cl65 1 0.72141100 0.08738700 0.78818400 1.0 Cl Cl66 1 0.77858900 0.08738700 0.28818400 1.0 Cl Cl67 1 0.27858900 0.91261300 0.21181600 1.0 Cl Cl68 1 0.02157900 0.18411900 0.54509200 1.0 Cl Cl69 1 0.52157900 0.81588100 0.95490800 1.0 Cl Cl70 1 0.97842100 0.81588100 0.45490800 1.0 Cl Cl71 1 0.47842100 0.18411900 0.04509200 1.0 Cl Cl72 1 0.78401400 0.40718200 0.47473500 1.0 Cl Cl73 1 0.28401400 0.59281800 0.02526500 1.0 Cl Cl74 1 0.21598600 0.59281800 0.52526500 1.0 Cl Cl75 1 0.71598600 0.40718200 0.97473500 1.0 Cl Cl76 1 0.98151300 0.48411800 0.39413500 1.0 Cl Cl77 1 0.48151300 0.51588200 0.10586500 1.0 Cl Cl78 1 0.01848700 0.51588200 0.60586500 1.0 Cl Cl79 1 0.51848700 0.48411800 0.89413500 1.0 Cl Cl80 1 0.71920000 0.02706000 0.62310300 1.0 Cl Cl81 1 0.21920000 0.97294000 0.87689700 1.0 Cl Cl82 1 0.28080000 0.97294000 0.37689700 1.0 Cl Cl83 1 0.78080000 0.02706000 0.12310300 1.0 Cl Cl84 1 0.53043200 0.13852400 0.54193300 1.0 Cl Cl85 1 0.03043200 0.86147600 0.95806700 1.0 Cl Cl86 1 0.46956800 0.86147600 0.45806700 1.0 Cl Cl87 1 0.96956800 0.13852400 0.04193300 1.0