# generated using pymatgen data_Li9Ti7Cr6O30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08683000 _cell_length_b 5.08683000 _cell_length_c 23.31239900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999995 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9Ti7Cr6O30 _chemical_formula_sum 'Li9 Ti7 Cr6 O30' _cell_volume 522.41067965 _cell_formula_units_Z 1 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 0.00000000 0.91331900 1.0 Li Li1 1 0.00000000 0.00000000 0.08291600 1.0 Li Li2 1 0.66666700 0.33333300 0.85820100 1.0 Li Li3 1 0.33333300 0.66666700 0.53464100 1.0 Li Li4 1 0.00000000 0.00000000 0.62625600 1.0 Li Li5 1 0.66666700 0.33333300 0.45689200 1.0 Li Li6 1 0.33333300 0.66666700 0.14324400 1.0 Li Li7 1 0.66666700 0.33333300 0.20846500 1.0 Li Li8 1 0.00000000 0.00000000 0.38157400 1.0 Ti Ti9 1 0.66666700 0.33333300 0.71188400 1.0 Ti Ti10 1 0.33333300 0.66666700 0.68962600 1.0 Ti Ti11 1 0.66666700 0.33333300 0.98196000 1.0 Ti Ti12 1 0.33333300 0.66666700 0.28764700 1.0 Ti Ti13 1 0.66666700 0.33333300 0.31675300 1.0 Ti Ti14 1 0.33333300 0.66666700 0.00525000 1.0 Ti Ti15 1 0.66666700 0.33333300 0.10722700 1.0 Cr Cr16 1 0.00000000 0.00000000 0.50239400 1.0 Cr Cr17 1 0.00000000 0.00000000 0.78978200 1.0 Cr Cr18 1 0.33333300 0.66666700 0.87689400 1.0 Cr Cr19 1 0.33333300 0.66666700 0.41378900 1.0 Cr Cr20 1 0.66666700 0.33333300 0.58871700 1.0 Cr Cr21 1 0.00000000 0.00000000 0.20305000 1.0 O O22 1 0.00118500 0.32998200 0.74432200 1.0 O O23 1 0.33180700 0.04650800 0.14898100 1.0 O O24 1 0.33370200 0.04542900 0.54922700 1.0 O O25 1 0.01365000 0.39046000 0.94295900 1.0 O O26 1 0.01637600 0.39091400 0.35233700 1.0 O O27 1 0.28939700 0.33331900 0.45361100 1.0 O O28 1 0.28994900 0.33381600 0.84623900 1.0 O O29 1 0.61887000 0.01404300 0.64956000 1.0 O O30 1 0.62711400 0.01370900 0.04362600 1.0 O O31 1 0.34087400 0.33338600 0.25457200 1.0 O O32 1 0.66661400 0.00748900 0.25457200 1.0 O O33 1 0.04386700 0.71005100 0.84623900 1.0 O O34 1 0.38659500 0.37288600 0.04362600 1.0 O O35 1 0.04392200 0.71060300 0.45361100 1.0 O O36 1 0.39517400 0.38113000 0.64956000 1.0 O O37 1 0.60908600 0.62546200 0.35233700 1.0 O O38 1 0.60954000 0.62319000 0.94295900 1.0 O O39 1 0.95457100 0.28827300 0.54922700 1.0 O O40 1 0.95349200 0.28529800 0.14898100 1.0 O O41 1 0.32879700 0.99881500 0.74432200 1.0 O O42 1 0.37681000 0.98635000 0.94295900 1.0 O O43 1 0.67001800 0.67120300 0.74432200 1.0 O O44 1 0.71172700 0.66629800 0.54922700 1.0 O O45 1 0.37453800 0.98362400 0.35233700 1.0 O O46 1 0.71470200 0.66819300 0.14898100 1.0 O O47 1 0.98595700 0.60482600 0.64956000 1.0 O O48 1 0.66618400 0.95613300 0.84623900 1.0 O O49 1 0.98629100 0.61340500 0.04362600 1.0 O O50 1 0.66668100 0.95607800 0.45361100 1.0 O O51 1 0.99251100 0.65912600 0.25457200 1.0