# generated using pymatgen data_Li3CrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78773700 _cell_length_b 5.80535100 _cell_length_c 12.61937145 _cell_angle_alpha 77.46853199 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3CrO4 _chemical_formula_sum 'Li18 Cr6 O24' _cell_volume 413.90775189 _cell_formula_units_Z 6 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 0.49806800 0.00000000 0.00000000 1.0 Li Li1 1 0.97708600 0.00000000 0.00000000 1.0 Li Li2 1 0.21626800 0.00000000 0.50000000 1.0 Li Li3 1 0.71266600 0.00000000 0.50000000 1.0 Li Li4 1 0.73460300 0.16513600 0.16791300 1.0 Li Li5 1 0.22288900 0.17586300 0.15832600 1.0 Li Li6 1 0.95912200 0.33786200 0.33224200 1.0 Li Li7 1 0.96265200 0.15424200 0.66633700 1.0 Li Li8 1 0.47007800 0.50000000 0.00000000 1.0 Li Li9 1 0.46661100 0.17217200 0.66222400 1.0 Li Li10 1 0.72304400 0.33487200 0.83049400 1.0 Li Li11 1 0.21258400 0.50000000 0.50000000 1.0 Li Li12 1 0.72304400 0.66512800 0.16950600 1.0 Li Li13 1 0.46661100 0.82782800 0.33777600 1.0 Li Li14 1 0.96265200 0.84575800 0.33366300 1.0 Li Li15 1 0.95912200 0.66213800 0.66775800 1.0 Li Li16 1 0.22288900 0.82413700 0.84167400 1.0 Li Li17 1 0.73460300 0.83486400 0.83208700 1.0 Cr Cr18 1 0.45870500 0.30573600 0.33146600 1.0 Cr Cr19 1 0.94578400 0.50000000 0.00000000 1.0 Cr Cr20 1 0.22297200 0.30406300 0.83232000 1.0 Cr Cr21 1 0.73563000 0.50000000 0.50000000 1.0 Cr Cr22 1 0.22297200 0.69593700 0.16768000 1.0 Cr Cr23 1 0.45870500 0.69426400 0.66853400 1.0 O O24 1 0.69413900 0.10512100 0.32865400 1.0 O O25 1 0.74223300 0.26873100 0.00475900 1.0 O O26 1 0.23416000 0.10267000 0.33790700 1.0 O O27 1 0.46133300 0.42691300 0.18056700 1.0 O O28 1 0.98986300 0.10279100 0.82887900 1.0 O O29 1 0.94018900 0.27021300 0.50465300 1.0 O O30 1 0.99200000 0.43480500 0.15341100 1.0 O O31 1 0.44881800 0.10205600 0.83882800 1.0 O O32 1 0.47054600 0.27511100 0.48691500 1.0 O O33 1 0.21079700 0.72255300 0.01318000 1.0 O O34 1 0.68866200 0.56457300 0.34668400 1.0 O O35 1 0.22147700 0.57449000 0.31876500 1.0 O O36 1 0.22147700 0.42551000 0.68123500 1.0 O O37 1 0.68866200 0.43542700 0.65331600 1.0 O O38 1 0.21079700 0.27744700 0.98682000 1.0 O O39 1 0.47054600 0.72488900 0.51308500 1.0 O O40 1 0.44881800 0.89794400 0.16117200 1.0 O O41 1 0.99200000 0.56519500 0.84658900 1.0 O O42 1 0.94018900 0.72978700 0.49534700 1.0 O O43 1 0.98986300 0.89720900 0.17112100 1.0 O O44 1 0.46133300 0.57308700 0.81943300 1.0 O O45 1 0.23416000 0.89733000 0.66209300 1.0 O O46 1 0.74223300 0.73126900 0.99524100 1.0 O O47 1 0.69413900 0.89487900 0.67134600 1.0