# generated using pymatgen data_Pr2Ni22C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.40645237 _cell_length_b 9.40645237 _cell_length_c 14.62370376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.79510273 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Ni22C3 _chemical_formula_sum 'Pr8 Ni88 C12' _cell_volume 1245.06802090 _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 Pr Pr0 1 0.81432360 0.68567640 0.25000000 1.0 Pr Pr1 1 0.68567640 0.81432360 0.75000000 1.0 Pr Pr2 1 0.18567640 0.31432360 0.75000000 1.0 Pr Pr3 1 0.31432360 0.18567640 0.25000000 1.0 Pr Pr4 1 0.70730641 0.29269359 0.52799699 1.0 Pr Pr5 1 0.29269359 0.70730641 0.47200301 1.0 Pr Pr6 1 0.79269359 0.20730641 0.02799699 1.0 Pr Pr7 1 0.20730641 0.79269359 0.97200301 1.0 Ni Ni8 1 0.92957898 0.43027629 0.18165003 1.0 Ni Ni9 1 0.43027629 0.92957898 0.81834997 1.0 Ni Ni10 1 0.93027629 0.42957898 0.68165003 1.0 Ni Ni11 1 0.42957898 0.93027629 0.31834997 1.0 Ni Ni12 1 0.07042102 0.56972371 0.81834997 1.0 Ni Ni13 1 0.56972371 0.07042102 0.18165003 1.0 Ni Ni14 1 0.06972371 0.57042102 0.31834997 1.0 Ni Ni15 1 0.57042102 0.06972371 0.68165003 1.0 Ni Ni16 1 0.56036132 0.43963868 0.34228865 1.0 Ni Ni17 1 0.43963868 0.56036132 0.65771135 1.0 Ni Ni18 1 0.93963868 0.06036132 0.84228865 1.0 Ni Ni19 1 0.06036132 0.93963868 0.15771135 1.0 Ni Ni20 1 0.00761109 0.76893397 0.42214559 1.0 Ni Ni21 1 0.76893397 0.00761109 0.57785441 1.0 Ni Ni22 1 0.26893397 0.50761109 0.92214559 1.0 Ni Ni23 1 0.50761109 0.26893397 0.07785441 1.0 Ni Ni24 1 0.99238891 0.23106603 0.57785441 1.0 Ni Ni25 1 0.23106603 0.99238891 0.42214559 1.0 Ni Ni26 1 0.73106603 0.49238891 0.07785441 1.0 Ni Ni27 1 0.49238891 0.73106603 0.92214559 1.0 Ni Ni28 1 0.75304648 0.59921618 0.45051271 1.0 Ni Ni29 1 0.59921618 0.75304648 0.54948729 1.0 Ni Ni30 1 0.09921618 0.25304648 0.95051271 1.0 Ni Ni31 1 0.25304648 0.09921618 0.04948729 1.0 Ni Ni32 1 0.24695352 0.40078382 0.54948729 1.0 Ni Ni33 1 0.40078382 0.24695352 0.45051271 1.0 Ni Ni34 1 0.90078382 0.74695352 0.04948729 1.0 Ni Ni35 1 0.74695352 0.90078382 0.95051271 1.0 Ni Ni36 1 0.13910802 0.21196020 0.42789636 1.0 Ni Ni37 1 0.21196020 0.13910802 0.57210364 1.0 Ni Ni38 1 0.71196020 0.63910802 0.92789636 1.0 Ni Ni39 1 0.63910802 0.71196020 0.07210364 1.0 Ni Ni40 1 0.86089198 0.78803980 0.57210364 1.0 Ni Ni41 1 0.78803980 0.86089198 0.42789636 1.0 Ni Ni42 1 0.28803980 0.36089198 0.07210364 1.0 Ni Ni43 1 0.36089198 0.28803980 0.92789636 1.0 Ni Ni44 1 0.82246524 0.39552233 0.34329799 1.0 Ni Ni45 1 0.39552233 0.82246524 0.65670201 1.0 Ni Ni46 1 0.89552233 0.32246524 0.84329799 1.0 Ni Ni47 1 0.32246524 0.89552233 0.15670201 1.0 Ni Ni48 1 0.17753476 0.60447767 0.65670201 1.0 Ni Ni49 1 0.60447767 0.17753476 0.34329799 1.0 Ni Ni50 1 0.10447767 0.67753476 0.15670201 1.0 Ni Ni51 1 0.67753476 0.10447767 0.84329799 1.0 Ni Ni52 1 0.94821840 0.79720645 0.86879852 1.0 Ni Ni53 1 0.79720645 0.94821840 0.13120148 1.0 Ni Ni54 1 0.29720645 0.44821840 0.36879852 1.0 Ni Ni55 1 0.44821840 0.29720645 0.63120148 1.0 Ni Ni56 1 0.05178160 0.20279355 0.13120148 1.0 Ni Ni57 1 0.20279355 0.05178160 0.86879852 1.0 Ni Ni58 1 0.70279355 0.55178160 0.63120148 1.0 Ni Ni59 1 0.55178160 0.70279355 0.36879852 1.0 Ni Ni60 1 0.04557374 0.29453678 0.29933038 1.0 Ni Ni61 1 0.29453678 0.04557374 0.70066962 1.0 Ni Ni62 1 0.79453678 0.54557374 0.79933038 1.0 Ni Ni63 1 0.54557374 0.79453678 0.20066962 1.0 Ni Ni64 1 0.95442626 0.70546322 0.70066962 1.0 Ni Ni65 1 0.70546322 0.95442626 0.29933038 1.0 Ni Ni66 1 0.20546322 0.45442626 0.20066962 1.0 Ni Ni67 1 0.45442626 0.20546322 0.79933038 1.0 Ni Ni68 1 0.82025679 0.17974321 0.23417965 1.0 Ni Ni69 1 0.17974321 0.82025679 0.76582035 1.0 Ni Ni70 1 0.67974321 0.32025679 0.73417965 1.0 Ni Ni71 1 0.32025679 0.67974321 0.26582035 1.0 Ni Ni72 1 0.85725206 0.14274794 0.41233310 1.0 Ni Ni73 1 0.14274794 0.85725206 0.58766690 1.0 Ni Ni74 1 0.64274794 0.35725206 0.91233310 1.0 Ni Ni75 1 0.35725206 0.64274794 0.08766690 1.0 Ni Ni76 1 0.99729764 0.00270236 0.32488450 1.0 Ni Ni77 1 0.00270236 0.99729764 0.67511550 1.0 Ni Ni78 1 0.50270236 0.49729764 0.82488450 1.0 Ni Ni79 1 0.49729764 0.50270236 0.17511550 1.0 Ni Ni80 1 0.65875554 0.34124446 0.21176073 1.0 Ni Ni81 1 0.34124446 0.65875554 0.78823927 1.0 Ni Ni82 1 0.84124446 0.15875554 0.71176073 1.0 Ni Ni83 1 0.15875554 0.84124446 0.28823927 1.0 Ni Ni84 1 0.00000000 -0.00000000 0.50000000 1.0 Ni Ni85 1 0.50000000 0.50000000 -0.00000000 1.0 Ni Ni86 1 0.09000641 0.46802104 0.04837309 1.0 Ni Ni87 1 0.46802104 0.09000641 0.95162691 1.0 Ni Ni88 1 0.96802104 0.59000641 0.54837309 1.0 Ni Ni89 1 0.59000641 0.96802104 0.45162691 1.0 Ni Ni90 1 0.90999359 0.53197896 0.95162691 1.0 Ni Ni91 1 0.53197896 0.90999359 0.04837309 1.0 Ni Ni92 1 0.03197896 0.40999359 0.45162691 1.0 Ni Ni93 1 0.40999359 0.03197896 0.54837309 1.0 Ni Ni94 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni95 1 0.00000000 -0.00000000 -0.00000000 1.0 C C96 1 0.94578589 0.05421411 0.21154978 1.0 C C97 1 0.05421411 0.94578589 0.78845022 1.0 C C98 1 0.55421411 0.44578589 0.71154978 1.0 C C99 1 0.44578589 0.55421411 0.28845022 1.0 C C100 1 0.93248892 0.55719563 0.41660570 1.0 C C101 1 0.55719563 0.93248892 0.58339430 1.0 C C102 1 0.05719563 0.43248892 0.91660570 1.0 C C103 1 0.43248892 0.05719563 0.08339430 1.0 C C104 1 0.06751108 0.44280437 0.58339430 1.0 C C105 1 0.44280437 0.06751108 0.41660570 1.0 C C106 1 0.94280437 0.56751108 0.08339430 1.0 C C107 1 0.56751108 0.94280437 0.91660570 1.0