# generated using pymatgen data_Cr3C2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78828942 _cell_length_b 5.44085956 _cell_length_c 11.38863471 _cell_angle_alpha 89.99875488 _cell_angle_beta 89.99999558 _cell_angle_gamma 89.99999927 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3C2 _chemical_formula_sum 'Cr12 C8' _cell_volume 172.77345975 _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 Cr Cr0 1 0.74999817 0.01327428 0.59684625 1.0 Cr Cr1 1 0.24999938 0.98674907 0.40318263 1.0 Cr Cr2 1 0.75000111 0.51325126 0.90314946 1.0 Cr Cr3 1 0.25000061 0.48674251 0.09684232 1.0 Cr Cr4 1 0.25000028 0.81325347 0.77405059 1.0 Cr Cr5 1 0.74999918 0.18675806 0.22591728 1.0 Cr Cr6 1 0.25000048 0.31318499 0.72593390 1.0 Cr Cr7 1 0.75000021 0.68681692 0.27407881 1.0 Cr Cr8 1 0.25000119 0.13259615 0.93142690 1.0 Cr Cr9 1 0.75000085 0.86737993 0.06854778 1.0 Cr Cr10 1 0.24999958 0.63266065 0.56853701 1.0 Cr Cr11 1 0.74999807 0.36736559 0.43149129 1.0 C C12 1 0.75000027 0.59937635 0.70293891 1.0 C C13 1 0.24999938 0.40062456 0.29706495 1.0 C C14 1 0.75000106 0.09935460 0.79708076 1.0 C C15 1 0.25000034 0.90060789 0.20290456 1.0 C C16 1 0.25000116 0.76077398 0.95188833 1.0 C C17 1 0.75000146 0.23922280 0.04810544 1.0 C C18 1 0.24999858 0.26077876 0.54810002 1.0 C C19 1 0.74999864 0.73922918 0.45191381 1.0