# generated using pymatgen data_CaV4(CoO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47311437 _cell_length_b 7.45067901 _cell_length_c 7.45150770 _cell_angle_alpha 90.45771436 _cell_angle_beta 89.70725463 _cell_angle_gamma 90.20931694 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaV4(CoO4)3 _chemical_formula_sum 'Ca2 V8 Co6 O24' _cell_volume 414.87692058 _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 Ca Ca0 1 0.00144100 0.00161100 0.00038100 1.0 Ca Ca1 1 0.49883600 0.49852700 0.50009200 1.0 V V2 1 0.25186800 0.25004500 0.24916000 1.0 V V3 1 0.74841800 0.74989300 0.75070500 1.0 V V4 1 0.24956100 0.74840700 0.75030700 1.0 V V5 1 0.75081000 0.25195200 0.24961400 1.0 V V6 1 0.74991200 0.24972900 0.74969700 1.0 V V7 1 0.25043000 0.75053500 0.25044800 1.0 V V8 1 0.24972400 0.24890700 0.74838000 1.0 V V9 1 0.75056900 0.75071500 0.25160500 1.0 Co Co10 1 0.00037100 0.49943400 0.49965800 1.0 Co Co11 1 0.49924600 0.00135200 0.49906800 1.0 Co Co12 1 0.49974500 0.49808700 0.00072700 1.0 Co Co13 1 0.49986400 0.00026800 0.00019100 1.0 Co Co14 1 0.00345100 0.49921200 0.00074500 1.0 Co Co15 1 0.99981800 0.00237700 0.49963600 1.0 O O16 1 0.00106600 0.30082500 0.81814500 1.0 O O17 1 0.49904900 0.80345100 0.31580000 1.0 O O18 1 0.49906200 0.19754100 0.68394500 1.0 O O19 1 0.00009900 0.69788300 0.18302600 1.0 O O20 1 0.49368500 0.79867500 0.68654300 1.0 O O21 1 0.99301700 0.29726700 0.18677300 1.0 O O22 1 0.00768200 0.70055300 0.81262900 1.0 O O23 1 0.50522000 0.20394500 0.31399900 1.0 O O24 1 0.18320000 0.00491300 0.70269800 1.0 O O25 1 0.68554700 0.50653700 0.20164800 1.0 O O26 1 0.31654200 0.49512400 0.79741300 1.0 O O27 1 0.81274400 0.99344600 0.29902300 1.0 O O28 1 0.31616200 0.49983400 0.19819000 1.0 O O29 1 0.81627400 0.00399300 0.70082600 1.0 O O30 1 0.18099600 0.00053600 0.29980000 1.0 O O31 1 0.68427100 0.49533900 0.79902000 1.0 O O32 1 0.29653000 0.18479300 0.00560200 1.0 O O33 1 0.79806600 0.68680500 0.50694600 1.0 O O34 1 0.20292600 0.31496800 0.49533200 1.0 O O35 1 0.70289000 0.81287200 0.99208500 1.0 O O36 1 0.80165600 0.31738000 0.50111300 1.0 O O37 1 0.30042000 0.81650400 0.00358700 1.0 O O38 1 0.69805600 0.18190300 0.99997000 1.0 O O39 1 0.20077600 0.68386300 0.49547300 1.0