# generated using pymatgen data_LiCr4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.63254423 _cell_length_b 15.63254423 _cell_length_c 15.63254423 _cell_angle_alpha 148.27502785 _cell_angle_beta 148.27502785 _cell_angle_gamma 45.47953275 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr4O12 _chemical_formula_sum 'Li4 Cr16 O48' _cell_volume 1052.88271803 _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 Li Li0 1 0.00000000 0.50000000 0.50000000 1.0 Li Li1 1 0.25000000 0.25000000 0.00000000 1.0 Li Li2 1 0.50000000 0.00000000 0.50000000 1.0 Li Li3 1 0.75000000 0.75000000 0.00000000 1.0 Cr Cr4 1 0.03433800 0.82056000 0.50383000 1.0 Cr Cr5 1 0.28050800 0.28433800 0.71377900 1.0 Cr Cr6 1 0.96949200 0.18327100 0.50383000 1.0 Cr Cr7 1 0.53433800 0.03050800 0.21377900 1.0 Cr Cr8 1 0.43327100 0.71949200 0.00383000 1.0 Cr Cr9 1 0.81672900 0.32056000 0.78622100 1.0 Cr Cr10 1 0.67944000 0.46566200 0.49617000 1.0 Cr Cr11 1 0.57056000 0.56672900 0.28622100 1.0 Cr Cr12 1 0.17944000 0.68327100 0.21377900 1.0 Cr Cr13 1 0.07056000 0.78433800 0.00383000 1.0 Cr Cr14 1 0.93327100 0.92944000 0.71377900 1.0 Cr Cr15 1 0.31672900 0.53050800 0.49617000 1.0 Cr Cr16 1 0.21566200 0.21949200 0.28622100 1.0 Cr Cr17 1 0.78050800 0.06672900 0.99617000 1.0 Cr Cr18 1 0.46949200 0.96566200 0.78622100 1.0 Cr Cr19 1 0.71566200 0.42944000 0.99617000 1.0 O O20 1 0.86627500 0.00410400 0.26033800 1.0 O O21 1 0.64413000 0.95154300 0.16701300 1.0 O O22 1 0.93732700 0.87500000 0.56232700 1.0 O O23 1 0.14413000 0.97711700 0.69258700 1.0 O O24 1 0.36627500 0.10593800 0.86217200 1.0 O O25 1 0.12500000 0.18732700 0.56232700 1.0 O O26 1 0.04845700 0.21547000 0.69258700 1.0 O O27 1 0.20154300 0.39413000 0.66701300 1.0 O O28 1 0.39406200 0.13372500 0.13782800 1.0 O O29 1 0.85593800 0.49376600 0.23966200 1.0 O O30 1 0.83721000 0.33721000 0.50000000 1.0 O O31 1 0.58721000 0.58721000 0.00000000 1.0 O O32 1 0.41279000 0.41279000 0.00000000 1.0 O O33 1 0.66279000 0.16279000 0.50000000 1.0 O O34 1 0.25410400 0.61627500 0.76033800 1.0 O O35 1 0.99589600 0.25623400 0.86217200 1.0 O O36 1 0.72711700 0.53453000 0.33298700 1.0 O O37 1 0.52288300 0.35587000 0.30741300 1.0 O O38 1 0.62500000 0.56267300 0.43767300 1.0 O O39 1 0.24376600 0.50410400 0.13782800 1.0 O O40 1 0.00623400 0.64406200 0.76033800 1.0 O O41 1 0.28453000 0.45154300 0.30741300 1.0 O O42 1 0.96547000 0.77288300 0.66701300 1.0 O O43 1 0.31267300 0.37500000 0.43767300 1.0 O O44 1 0.43732700 0.87500000 0.06232700 1.0 O O45 1 0.78453000 0.47711700 0.83298700 1.0 O O46 1 0.46547000 0.79845700 0.19258700 1.0 O O47 1 0.74376600 0.60593800 0.73966200 1.0 O O48 1 0.50623400 0.74589600 0.36217200 1.0 O O49 1 0.12500000 0.68732700 0.06232700 1.0 O O50 1 0.22711700 0.89413000 0.19258700 1.0 O O51 1 0.02288300 0.71547000 0.16701300 1.0 O O52 1 0.75410400 0.99376600 0.63782800 1.0 O O53 1 0.49589600 0.63372500 0.73966200 1.0 O O54 1 0.08721000 0.08721000 0.00000000 1.0 O O55 1 0.91279000 0.91279000 0.00000000 1.0 O O56 1 0.16279000 0.66279000 0.50000000 1.0 O O57 1 0.33721000 0.83721000 0.50000000 1.0 O O58 1 0.89406200 0.75623400 0.26033800 1.0 O O59 1 0.35593800 0.11627500 0.36217200 1.0 O O60 1 0.54845700 0.85587000 0.83298700 1.0 O O61 1 0.70154300 0.03453000 0.80741300 1.0 O O62 1 0.62500000 0.06267300 0.93767300 1.0 O O63 1 0.38372500 0.14406200 0.63782800 1.0 O O64 1 0.60587000 0.27288300 0.80741300 1.0 O O65 1 0.81267300 0.37500000 0.93767300 1.0 O O66 1 0.10587000 0.29845700 0.33298700 1.0 O O67 1 0.88372500 0.24589600 0.23966200 1.0