# generated using pymatgen data_CaV4(CoO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48154606 _cell_length_b 6.44039376 _cell_length_c 10.55577659 _cell_angle_alpha 89.47580455 _cell_angle_beta 90.26514707 _cell_angle_gamma 109.67292961 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaV4(CoO4)3 _chemical_formula_sum 'Ca2 V8 Co6 O24' _cell_volume 414.89921198 _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 0.00317500 0.00112800 0.99901300 1.0 Ca Ca1 1 0.49680600 0.49871700 0.50097300 1.0 V V2 1 0.75013700 0.74998700 0.25000500 1.0 V V3 1 0.24976500 0.24983100 0.74992400 1.0 V V4 1 0.49998200 0.00190200 0.99902600 1.0 V V5 1 0.00013500 0.49827800 0.50094900 1.0 V V6 1 0.00123300 0.50050900 0.00027900 1.0 V V7 1 0.49903200 0.99944900 0.49985400 1.0 V V8 1 0.25020200 0.25020600 0.25004900 1.0 V V9 1 0.74987600 0.74967600 0.74999200 1.0 Co Co10 1 0.24988100 0.75003000 0.74994800 1.0 Co Co11 1 0.49990300 0.49664800 0.99807200 1.0 Co Co12 1 0.00005100 0.00334700 0.50190000 1.0 Co Co13 1 0.25002100 0.75006300 0.25001300 1.0 Co Co14 1 0.74998700 0.25012600 0.74998200 1.0 Co Co15 1 0.74993300 0.24994500 0.25003400 1.0 O O16 1 0.03123400 0.33537900 0.14611900 1.0 O O17 1 0.53573400 0.84367500 0.64619800 1.0 O O18 1 0.46865900 0.16459200 0.35386800 1.0 O O19 1 0.96422100 0.65620800 0.85389400 1.0 O O20 1 0.67150100 0.96169200 0.15359900 1.0 O O21 1 0.17277400 0.47352400 0.64831300 1.0 O O22 1 0.82848200 0.53830700 0.34635700 1.0 O O23 1 0.32705900 0.02641200 0.85170200 1.0 O O24 1 0.39600400 0.20980900 0.09218700 1.0 O O25 1 0.88820400 0.71116200 0.59901000 1.0 O O26 1 0.10389100 0.29004800 0.40780500 1.0 O O27 1 0.61201100 0.78913300 0.90103400 1.0 O O28 1 0.71128900 0.89547600 0.40937400 1.0 O O29 1 0.20885400 0.39423900 0.90531100 1.0 O O30 1 0.78894300 0.60470500 0.09056400 1.0 O O31 1 0.29101900 0.10563600 0.59473800 1.0 O O32 1 0.06575400 0.94883700 0.23909900 1.0 O O33 1 0.55683600 0.43551600 0.74048300 1.0 O O34 1 0.43425600 0.55118900 0.26079000 1.0 O O35 1 0.94296900 0.06443700 0.75958200 1.0 O O36 1 0.25408300 0.75842800 0.05879400 1.0 O O37 1 0.74835500 0.26931700 0.55604900 1.0 O O38 1 0.24629300 0.74143000 0.44113800 1.0 O O39 1 0.75145600 0.23100600 0.94397800 1.0