# generated using pymatgen data_Ti2Nb2Ni2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17212601 _cell_length_b 8.17212601 _cell_length_c 8.17212601 _cell_angle_alpha 119.63042449 _cell_angle_beta 119.63042449 _cell_angle_gamma 90.64132444 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Nb2Ni2C _chemical_formula_sum 'Ti8 Nb8 Ni8 C4' _cell_volume 388.04311664 _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 Ti Ti0 1 0.87282300 0.12044600 0.24762300 1.0 Ti Ti1 1 0.87955400 0.12717700 0.75237700 1.0 Ti Ti2 1 0.37480000 0.12717700 0.24762300 1.0 Ti Ti3 1 0.87282300 0.62520000 0.75237700 1.0 Ti Ti4 1 0.31532500 0.68467500 0.00000000 1.0 Ti Ti5 1 0.68467500 0.31532500 0.00000000 1.0 Ti Ti6 1 0.68467500 0.68467500 0.36935000 1.0 Ti Ti7 1 0.31532500 0.31532500 0.63065000 1.0 Nb Nb8 1 0.68284600 0.68284600 0.00000000 1.0 Nb Nb9 1 0.31715400 0.31715400 0.00000000 1.0 Nb Nb10 1 0.43279800 0.56720200 0.50000000 1.0 Nb Nb11 1 0.06720200 0.93279800 0.50000000 1.0 Nb Nb12 1 0.06720200 0.56720200 0.13440300 1.0 Nb Nb13 1 0.43279800 0.93279800 0.86559700 1.0 Nb Nb14 1 0.06597100 0.56597100 0.50000000 1.0 Nb Nb15 1 0.43402900 0.93402900 0.50000000 1.0 Ni Ni16 1 0.07751100 0.91910800 0.84159700 1.0 Ni Ni17 1 0.08089200 0.92248900 0.15840300 1.0 Ni Ni18 1 0.76408500 0.92248900 0.84159700 1.0 Ni Ni19 1 0.07751100 0.23591500 0.15840300 1.0 Ni Ni20 1 0.66527600 0.32812400 0.66284800 1.0 Ni Ni21 1 0.67187600 0.33472400 0.33715200 1.0 Ni Ni22 1 0.99757200 0.33472400 0.66284800 1.0 Ni Ni23 1 0.66527600 0.00242800 0.33715200 1.0 C C24 1 0.37879000 0.62732400 0.24853300 1.0 C C25 1 0.37267600 0.62121000 0.75146700 1.0 C C26 1 0.86974300 0.62121000 0.24853300 1.0 C C27 1 0.37879000 0.13025700 0.75146700 1.0