# generated using pymatgen data_Li4Ti4Cr5O18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96953800 _cell_length_b 9.12013200 _cell_length_c 25.13047300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Ti4Cr5O18 _chemical_formula_sum 'Li8 Ti8 Cr10 O36' _cell_volume 680.59800875 _cell_formula_units_Z 2 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 Li Li0 1 0.00000000 0.19562900 0.99483700 1.0 Li Li1 1 0.00000000 0.20344000 0.19652200 1.0 Li Li2 1 0.00000000 0.29656000 0.69652200 1.0 Li Li3 1 0.00000000 0.30437100 0.49483700 1.0 Li Li4 1 0.00000000 0.69562900 0.50516300 1.0 Li Li5 1 0.00000000 0.70344000 0.30347800 1.0 Li Li6 1 0.00000000 0.79656000 0.80347800 1.0 Li Li7 1 0.00000000 0.80437100 0.00516300 1.0 Ti Ti8 1 0.00000000 0.00437800 0.10257800 1.0 Ti Ti9 1 0.50000000 0.14929600 0.80492600 1.0 Ti Ti10 1 0.50000000 0.35070400 0.30492600 1.0 Ti Ti11 1 0.00000000 0.49562200 0.60257800 1.0 Ti Ti12 1 0.00000000 0.50437800 0.39742200 1.0 Ti Ti13 1 0.50000000 0.64929600 0.69507400 1.0 Ti Ti14 1 0.50000000 0.85070400 0.19507400 1.0 Ti Ti15 1 0.00000000 0.99562200 0.89742200 1.0 Cr Cr16 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr17 1 0.00000000 0.01295200 0.31030100 1.0 Cr Cr18 1 0.50000000 0.14362200 0.58737600 1.0 Cr Cr19 1 0.50000000 0.35637800 0.08737600 1.0 Cr Cr20 1 0.00000000 0.48704800 0.81030100 1.0 Cr Cr21 1 0.00000000 0.50000000 0.00000000 1.0 Cr Cr22 1 0.00000000 0.51295200 0.18969900 1.0 Cr Cr23 1 0.50000000 0.64362200 0.91262400 1.0 Cr Cr24 1 0.50000000 0.85637800 0.41262400 1.0 Cr Cr25 1 0.00000000 0.98704800 0.68969900 1.0 O O26 1 0.00000000 0.99409700 0.42088200 1.0 O O27 1 0.00000000 0.00590300 0.57911800 1.0 O O28 1 0.50000000 0.05288600 0.94120200 1.0 O O29 1 0.50000000 0.04892400 0.15944900 1.0 O O30 1 0.50000000 0.11607700 0.66478500 1.0 O O31 1 0.00000000 0.09921000 0.75568600 1.0 O O32 1 0.50000000 0.14800800 0.50694900 1.0 O O33 1 0.50000000 0.14566700 0.28600600 1.0 O O34 1 0.00000000 0.18446400 0.85427300 1.0 O O35 1 0.00000000 0.20632000 0.08538500 1.0 O O36 1 0.00000000 0.29368000 0.58538500 1.0 O O37 1 0.00000000 0.31553600 0.35427300 1.0 O O38 1 0.50000000 0.35433300 0.78600600 1.0 O O39 1 0.50000000 0.35199200 0.00694900 1.0 O O40 1 0.00000000 0.40079000 0.25568600 1.0 O O41 1 0.50000000 0.38392300 0.16478500 1.0 O O42 1 0.50000000 0.45107600 0.65944900 1.0 O O43 1 0.50000000 0.44711400 0.44120200 1.0 O O44 1 0.00000000 0.49409700 0.07911800 1.0 O O45 1 0.00000000 0.50590300 0.92088200 1.0 O O46 1 0.50000000 0.55288600 0.55879800 1.0 O O47 1 0.50000000 0.54892400 0.34055100 1.0 O O48 1 0.50000000 0.61607700 0.83521500 1.0 O O49 1 0.00000000 0.59921000 0.74431400 1.0 O O50 1 0.50000000 0.64800800 0.99305100 1.0 O O51 1 0.50000000 0.64566700 0.21399400 1.0 O O52 1 0.00000000 0.68446400 0.64572700 1.0 O O53 1 0.00000000 0.70632000 0.41461500 1.0 O O54 1 0.00000000 0.79368000 0.91461500 1.0 O O55 1 0.00000000 0.81553600 0.14572700 1.0 O O56 1 0.50000000 0.85433300 0.71399400 1.0 O O57 1 0.50000000 0.85199200 0.49305100 1.0 O O58 1 0.00000000 0.90079000 0.24431400 1.0 O O59 1 0.50000000 0.88392300 0.33521500 1.0 O O60 1 0.50000000 0.95107600 0.84055100 1.0 O O61 1 0.50000000 0.94711400 0.05879800 1.0