# generated using pymatgen data_La2Ni22C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42698316 _cell_length_b 9.42698308 _cell_length_c 14.70240261 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.59915260 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Ni22C3 _chemical_formula_sum 'La8 Ni88 C12' _cell_volume 1258.44766398 _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 La La0 1 0.31329960 0.18670040 0.75000000 1.0 La La1 1 0.79294686 0.20705314 0.97155129 1.0 La La2 1 0.20705314 0.79294686 0.02844871 1.0 La La3 1 0.68670040 0.81329960 0.25000000 1.0 La La4 1 0.81329960 0.68670040 0.75000000 1.0 La La5 1 0.29294686 0.70705314 0.52844871 1.0 La La6 1 0.70705314 0.29294686 0.47155129 1.0 La La7 1 0.18670040 0.31329960 0.25000000 1.0 Ni Ni8 1 0.36236990 0.28869954 0.07200356 1.0 Ni Ni9 1 0.57058209 0.06992222 0.31774116 1.0 Ni Ni10 1 0.25325352 0.10054644 0.95087648 1.0 Ni Ni11 1 0.09018736 0.46817083 0.95196167 1.0 Ni Ni12 1 0.21130046 0.13763010 0.42799644 1.0 Ni Ni13 1 0.82205974 0.39545977 0.65635762 1.0 Ni Ni14 1 0.89945356 0.74674648 0.95087648 1.0 Ni Ni15 1 0.76971119 0.00743505 0.42165103 1.0 Ni Ni16 1 0.84017132 0.15982868 0.28797046 1.0 Ni Ni17 1 0.93868589 0.06131411 0.15610502 1.0 Ni Ni18 1 0.32205974 0.89545977 0.84364238 1.0 Ni Ni19 1 0.53182917 0.90981264 0.95196167 1.0 Ni Ni20 1 0.54528036 0.79686086 0.79981470 1.0 Ni Ni21 1 0.67794026 0.10454023 0.15635762 1.0 Ni Ni22 1 0.86236990 0.78869954 0.42799644 1.0 Ni Ni23 1 0.56992222 0.07058209 0.81774116 1.0 Ni Ni24 1 0.44661541 0.29550782 0.36894447 1.0 Ni Ni25 1 0.78869954 0.86236990 0.57200356 1.0 Ni Ni26 1 0.29550782 0.44661541 0.63105553 1.0 Ni Ni27 1 0.14296325 0.85703675 0.41179880 1.0 Ni Ni28 1 0.00743505 0.76971119 0.57834897 1.0 Ni Ni29 1 0.04528036 0.29686086 0.70018530 1.0 Ni Ni30 1 0.24674648 0.39945356 0.45087648 1.0 Ni Ni31 1 0.06131411 0.93868589 0.84389498 1.0 Ni Ni32 1 0.03182917 0.40981264 0.54803833 1.0 Ni Ni33 1 0.06992222 0.57058209 0.68225884 1.0 Ni Ni34 1 0.20313914 0.45471964 0.79981470 1.0 Ni Ni35 1 0.65982868 0.34017132 0.78797046 1.0 Ni Ni36 1 0.67794506 0.32205494 0.26547483 1.0 Ni Ni37 1 0.17794026 0.60454023 0.34364238 1.0 Ni Ni38 1 0.50292609 0.49707391 0.17617189 1.0 Ni Ni39 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni40 1 0.15982868 0.84017132 0.71202954 1.0 Ni Ni41 1 0.07058209 0.56992222 0.18225884 1.0 Ni Ni42 1 0.23028881 0.99256495 0.57834897 1.0 Ni Ni43 1 0.05338459 0.20449218 0.86894447 1.0 Ni Ni44 1 0.43868589 0.56131411 0.34389498 1.0 Ni Ni45 1 0.60454023 0.17794026 0.65635762 1.0 Ni Ni46 1 0.39945356 0.24674648 0.54912352 1.0 Ni Ni47 1 0.59018736 0.96817083 0.54803833 1.0 Ni Ni48 1 0.26971119 0.50743505 0.07834897 1.0 Ni Ni49 1 0.49707391 0.50292609 0.82382811 1.0 Ni Ni50 1 0.93007778 0.42941791 0.31774116 1.0 Ni Ni51 1 0.64296325 0.35703675 0.08820120 1.0 Ni Ni52 1 0.35703675 0.64296325 0.91179880 1.0 Ni Ni53 1 0.56131411 0.43868589 0.65610502 1.0 Ni Ni54 1 0.17794506 0.82205494 0.23452517 1.0 Ni Ni55 1 0.94661541 0.79550782 0.13105553 1.0 Ni Ni56 1 0.60054644 0.75325352 0.45087648 1.0 Ni Ni57 1 0.70449218 0.55338459 0.36894447 1.0 Ni Ni58 1 0.55338459 0.70449218 0.63105553 1.0 Ni Ni59 1 0.45471964 0.20313914 0.20018530 1.0 Ni Ni60 1 0.75325352 0.60054644 0.54912352 1.0 Ni Ni61 1 0.39545977 0.82205974 0.34364238 1.0 Ni Ni62 1 0.99256495 0.23028881 0.42165103 1.0 Ni Ni63 1 0.90981264 0.53182917 0.04803833 1.0 Ni Ni64 1 0.10454023 0.67794026 0.84364238 1.0 Ni Ni65 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni66 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni67 1 0.82205494 0.17794506 0.76547483 1.0 Ni Ni68 1 0.79686086 0.54528036 0.20018530 1.0 Ni Ni69 1 0.89545977 0.32205974 0.15635762 1.0 Ni Ni70 1 0.96817083 0.59018736 0.45196167 1.0 Ni Ni71 1 0.40981264 0.03182917 0.45196167 1.0 Ni Ni72 1 0.49256495 0.73028881 0.07834897 1.0 Ni Ni73 1 0.50743505 0.26971119 0.92165103 1.0 Ni Ni74 1 0.73028881 0.49256495 0.92165103 1.0 Ni Ni75 1 0.20449218 0.05338459 0.13105553 1.0 Ni Ni76 1 0.42941791 0.93007778 0.68225884 1.0 Ni Ni77 1 0.34017132 0.65982868 0.21202954 1.0 Ni Ni78 1 0.28869954 0.36236990 0.92799644 1.0 Ni Ni79 1 0.74674648 0.89945356 0.04912352 1.0 Ni Ni80 1 0.71130046 0.63763010 0.07200356 1.0 Ni Ni81 1 0.29686086 0.04528036 0.29981470 1.0 Ni Ni82 1 0.92941791 0.43007778 0.81774116 1.0 Ni Ni83 1 0.95471964 0.70313914 0.29981470 1.0 Ni Ni84 1 0.32205494 0.67794506 0.73452517 1.0 Ni Ni85 1 0.43007778 0.92941791 0.18225884 1.0 Ni Ni86 1 0.63763010 0.71130046 0.92799644 1.0 Ni Ni87 1 0.85703675 0.14296325 0.58820120 1.0 Ni Ni88 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni89 1 0.00292609 0.99707391 0.32382811 1.0 Ni Ni90 1 0.10054644 0.25325352 0.04912352 1.0 Ni Ni91 1 0.13763010 0.21130046 0.57200356 1.0 Ni Ni92 1 0.46817083 0.09018736 0.04803833 1.0 Ni Ni93 1 0.79550782 0.94661541 0.86894447 1.0 Ni Ni94 1 0.70313914 0.95471964 0.70018530 1.0 Ni Ni95 1 0.99707391 0.00292609 0.67617189 1.0 C C96 1 0.05303223 0.94696777 0.20880975 1.0 C C97 1 0.94212199 0.56641609 0.91674780 1.0 C C98 1 0.55303223 0.44696777 0.29119025 1.0 C C99 1 0.06641609 0.44212199 0.41674780 1.0 C C100 1 0.43358391 0.05787801 0.91674780 1.0 C C101 1 0.05787801 0.43358391 0.08325220 1.0 C C102 1 0.44212199 0.06641609 0.58325220 1.0 C C103 1 0.44696777 0.55303223 0.70880975 1.0 C C104 1 0.94696777 0.05303223 0.79119025 1.0 C C105 1 0.56641609 0.94212199 0.08325220 1.0 C C106 1 0.93358391 0.55787801 0.58325220 1.0 C C107 1 0.55787801 0.93358391 0.41674780 1.0