# generated using pymatgen data_Ce2Ni22C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.36793678 _cell_length_b 9.36793721 _cell_length_c 14.59051427 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.54225059 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2Ni22C3 _chemical_formula_sum 'Ce8 Ni88 C12' _cell_volume 1233.61629307 _cell_formula_units_Z 4 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 Ce Ce0 1 0.68697796 0.81302204 0.25000000 1.0 Ce Ce1 1 0.70860401 0.29139599 0.47310663 1.0 Ce Ce2 1 0.79139599 0.20860401 0.97310663 1.0 Ce Ce3 1 0.29139599 0.70860401 0.52689337 1.0 Ce Ce4 1 0.31302204 0.18697796 0.75000000 1.0 Ce Ce5 1 0.18697796 0.31302204 0.25000000 1.0 Ce Ce6 1 0.20860401 0.79139599 0.02689337 1.0 Ce Ce7 1 0.81302204 0.68697796 0.75000000 1.0 Ni Ni8 1 0.50312982 0.49687018 0.17474928 1.0 Ni Ni9 1 0.54899430 0.70461517 0.62886288 1.0 Ni Ni10 1 0.71186958 0.64037040 0.07283025 1.0 Ni Ni11 1 0.42884082 0.93149272 0.68270711 1.0 Ni Ni12 1 0.70742927 0.95437134 0.70195191 1.0 Ni Ni13 1 0.44054634 0.55945366 0.34216939 1.0 Ni Ni14 1 0.85962960 0.78813042 0.42716975 1.0 Ni Ni15 1 0.59789866 0.75136701 0.44996259 1.0 Ni Ni16 1 0.35361813 0.64638187 0.91538175 1.0 Ni Ni17 1 0.40210134 0.24863299 0.55003741 1.0 Ni Ni18 1 0.25136701 0.09789866 0.94996259 1.0 Ni Ni19 1 0.10367456 0.68012658 0.84385346 1.0 Ni Ni20 1 0.84219639 0.15780361 0.28815417 1.0 Ni Ni21 1 0.31987342 0.89632544 0.84385346 1.0 Ni Ni22 1 0.06850728 0.57115918 0.68270711 1.0 Ni Ni23 1 0.21186958 0.14037040 0.42716975 1.0 Ni Ni24 1 0.74863299 0.90210134 0.05003741 1.0 Ni Ni25 1 0.07115918 0.56850728 0.18270711 1.0 Ni Ni26 1 0.70461517 0.54899430 0.37113712 1.0 Ni Ni27 1 0.18113758 0.81886242 0.23219544 1.0 Ni Ni28 1 0.18012658 0.60367456 0.34385346 1.0 Ni Ni29 1 0.45100570 0.29538483 0.37113712 1.0 Ni Ni30 1 0.93149272 0.42884082 0.31729289 1.0 Ni Ni31 1 0.91013370 0.53276257 0.04852444 1.0 Ni Ni32 1 0.79257073 0.54562866 0.20195191 1.0 Ni Ni33 1 0.96723743 0.58986630 0.45147556 1.0 Ni Ni34 1 0.64638187 0.35361813 0.08461825 1.0 Ni Ni35 1 0.54562866 0.79257073 0.79804809 1.0 Ni Ni36 1 0.03276257 0.41013370 0.54852444 1.0 Ni Ni37 1 0.04562866 0.29257073 0.70195191 1.0 Ni Ni38 1 0.43149272 0.92884082 0.18270711 1.0 Ni Ni39 1 0.99687018 0.00312982 0.67474928 1.0 Ni Ni40 1 0.50825995 0.26909045 0.92154540 1.0 Ni Ni41 1 0.39632544 0.81987342 0.34385346 1.0 Ni Ni42 1 0.85361813 0.14638187 0.58461825 1.0 Ni Ni43 1 0.49174005 0.73090955 0.07845460 1.0 Ni Ni44 1 0.75136701 0.59789866 0.55003741 1.0 Ni Ni45 1 0.95437134 0.70742927 0.29804809 1.0 Ni Ni46 1 0.92884082 0.43149272 0.81729289 1.0 Ni Ni47 1 0.34219639 0.65780361 0.21184583 1.0 Ni Ni48 1 0.49687018 0.50312982 0.82525072 1.0 Ni Ni49 1 0.99174005 0.23090955 0.42154540 1.0 Ni Ni50 1 0.29257073 0.04562866 0.29804809 1.0 Ni Ni51 1 0.45437134 0.20742927 0.20195191 1.0 Ni Ni52 1 0.20461517 0.04899430 0.12886288 1.0 Ni Ni53 1 0.23090955 0.99174005 0.57845460 1.0 Ni Ni54 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni55 1 0.60367456 0.18012658 0.65614654 1.0 Ni Ni56 1 0.15780361 0.84219639 0.71184583 1.0 Ni Ni57 1 0.55945366 0.44054634 0.65783061 1.0 Ni Ni58 1 0.20742927 0.45437134 0.79804809 1.0 Ni Ni59 1 0.26909045 0.50825995 0.07845460 1.0 Ni Ni60 1 0.00312982 0.99687018 0.32525072 1.0 Ni Ni61 1 0.94054634 0.05945366 0.15783061 1.0 Ni Ni62 1 0.73090955 0.49174005 0.92154540 1.0 Ni Ni63 1 0.04899430 0.20461517 0.87113712 1.0 Ni Ni64 1 0.57115918 0.06850728 0.31729289 1.0 Ni Ni65 1 0.78813042 0.85962960 0.57283025 1.0 Ni Ni66 1 0.56850728 0.07115918 0.81729289 1.0 Ni Ni67 1 0.09789866 0.25136701 0.05003741 1.0 Ni Ni68 1 0.95100570 0.79538483 0.12886288 1.0 Ni Ni69 1 0.79538483 0.95100570 0.87113712 1.0 Ni Ni70 1 0.00825995 0.76909045 0.57845460 1.0 Ni Ni71 1 0.29538483 0.45100570 0.62886288 1.0 Ni Ni72 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni73 1 0.31886242 0.68113758 0.73219544 1.0 Ni Ni74 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni75 1 0.81987342 0.39632544 0.65614654 1.0 Ni Ni76 1 0.81886242 0.18113758 0.76780456 1.0 Ni Ni77 1 0.14638187 0.85361813 0.41538175 1.0 Ni Ni78 1 0.08986630 0.46723743 0.95147556 1.0 Ni Ni79 1 0.58986630 0.96723743 0.54852444 1.0 Ni Ni80 1 0.24863299 0.40210134 0.44996259 1.0 Ni Ni81 1 0.89632544 0.31987342 0.15614654 1.0 Ni Ni82 1 0.64037040 0.71186958 0.92716975 1.0 Ni Ni83 1 0.53276257 0.91013370 0.95147556 1.0 Ni Ni84 1 0.76909045 0.00825995 0.42154540 1.0 Ni Ni85 1 0.46723743 0.08986630 0.04852444 1.0 Ni Ni86 1 0.05945366 0.94054634 0.84216939 1.0 Ni Ni87 1 0.65780361 0.34219639 0.78815417 1.0 Ni Ni88 1 0.14037040 0.21186958 0.57283025 1.0 Ni Ni89 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni90 1 0.28813042 0.35962960 0.92716975 1.0 Ni Ni91 1 0.68113758 0.31886242 0.26780456 1.0 Ni Ni92 1 0.41013370 0.03276257 0.45147556 1.0 Ni Ni93 1 0.68012658 0.10367456 0.15614654 1.0 Ni Ni94 1 0.90210134 0.74863299 0.94996259 1.0 Ni Ni95 1 0.35962960 0.28813042 0.07283025 1.0 C C96 1 0.05557477 0.94442523 0.21101486 1.0 C C97 1 0.43274019 0.05736649 0.91684835 1.0 C C98 1 0.44263351 0.06725981 0.58315165 1.0 C C99 1 0.94263351 0.56725981 0.91684835 1.0 C C100 1 0.06725981 0.44263351 0.41684835 1.0 C C101 1 0.55557477 0.44442523 0.28898514 1.0 C C102 1 0.44442523 0.55557477 0.71101486 1.0 C C103 1 0.05736649 0.43274019 0.08315165 1.0 C C104 1 0.56725981 0.94263351 0.08315165 1.0 C C105 1 0.55736649 0.93274019 0.41684835 1.0 C C106 1 0.94442523 0.05557477 0.78898514 1.0 C C107 1 0.93274019 0.55736649 0.58315165 1.0