# generated using pymatgen data_Zr3Zn3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61650337 _cell_length_b 8.61644811 _cell_length_c 8.61652520 _cell_angle_alpha 60.00068282 _cell_angle_beta 60.00084016 _cell_angle_gamma 60.00048294 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Zn3C _chemical_formula_sum 'Zr12 Zn12 C4' _cell_volume 452.35884603 _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 Zr Zr0 1 0.44100490 0.44100027 0.05900057 1.0 Zr Zr1 1 0.05900181 0.44099021 0.05900695 1.0 Zr Zr2 1 0.44099836 0.05898612 0.05900970 1.0 Zr Zr3 1 0.05901196 0.05899156 0.44100550 1.0 Zr Zr4 1 0.44098428 0.05899521 0.44100858 1.0 Zr Zr5 1 0.05900255 0.44098815 0.44101404 1.0 Zr Zr6 1 0.80899011 0.80901503 0.19099665 1.0 Zr Zr7 1 0.19100332 0.80901370 0.19099868 1.0 Zr Zr8 1 0.80900808 0.19098889 0.19099756 1.0 Zr Zr9 1 0.19100083 0.19098376 0.80899751 1.0 Zr Zr10 1 0.80901568 0.19099032 0.80899702 1.0 Zr Zr11 1 0.19099860 0.80902799 0.80898484 1.0 Zn Zn12 1 0.82976570 0.82977056 0.51069633 1.0 Zn Zn13 1 0.82975979 0.51071589 0.82976274 1.0 Zn Zn14 1 0.51069529 0.82977002 0.82976791 1.0 Zn Zn15 1 0.82976103 0.82976617 0.82976401 1.0 Zn Zn16 1 0.42023688 0.42023614 0.73928875 1.0 Zn Zn17 1 0.42023004 0.73931074 0.42022754 1.0 Zn Zn18 1 0.73928693 0.42023760 0.42023604 1.0 Zn Zn19 1 0.42023655 0.42023612 0.42023435 1.0 Zn Zn20 1 0.62498431 0.62501425 0.12500435 1.0 Zn Zn21 1 0.62499962 0.12498640 0.62500124 1.0 Zn Zn22 1 0.12500491 0.62501351 0.62498516 1.0 Zn Zn23 1 0.62499007 0.62502032 0.62499169 1.0 C C24 1 0.12501433 0.12498792 0.62499350 1.0 C C25 1 0.12500773 0.62499075 0.12500568 1.0 C C26 1 0.62499366 0.12498831 0.12501289 1.0 C C27 1 0.12501268 0.12498411 0.12501020 1.0