# generated using pymatgen data_Mg30VCoO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53303455 _cell_length_b 8.53569371 _cell_length_c 8.53569371 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg30VCoO32 _chemical_formula_sum 'Mg30 V1 Co1 O32' _cell_volume 621.70040390 _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 Mg Mg0 1 -0.00000000 -0.00000000 0.50000000 1.0 Mg Mg1 1 -0.00000000 0.50000000 0.00000000 1.0 Mg Mg2 1 0.50000000 -0.00000000 0.00000000 1.0 Mg Mg3 1 0.50000000 -0.00000000 0.50000000 1.0 Mg Mg4 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg5 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg6 1 -0.00000000 0.24633975 0.24633975 1.0 Mg Mg7 1 -0.00000000 0.24633975 0.75366025 1.0 Mg Mg8 1 -0.00000000 0.75366025 0.24633975 1.0 Mg Mg9 1 -0.00000000 0.75366025 0.75366025 1.0 Mg Mg10 1 0.50000000 0.24932616 0.24932616 1.0 Mg Mg11 1 0.50000000 0.24932616 0.75067384 1.0 Mg Mg12 1 0.50000000 0.75067384 0.24932616 1.0 Mg Mg13 1 0.50000000 0.75067384 0.75067384 1.0 Mg Mg14 1 0.24883537 -0.00000000 0.24853542 1.0 Mg Mg15 1 0.24883537 -0.00000000 0.75146458 1.0 Mg Mg16 1 0.25126076 0.50000000 0.24864523 1.0 Mg Mg17 1 0.25126076 0.50000000 0.75135477 1.0 Mg Mg18 1 0.75116463 -0.00000000 0.24853542 1.0 Mg Mg19 1 0.75116463 -0.00000000 0.75146458 1.0 Mg Mg20 1 0.74873924 0.50000000 0.24864523 1.0 Mg Mg21 1 0.74873924 0.50000000 0.75135477 1.0 Mg Mg22 1 0.24883537 0.24853542 -0.00000000 1.0 Mg Mg23 1 0.25126076 0.24864523 0.50000000 1.0 Mg Mg24 1 0.24883537 0.75146458 0.00000000 1.0 Mg Mg25 1 0.25126076 0.75135477 0.50000000 1.0 Mg Mg26 1 0.75116463 0.24853542 -0.00000000 1.0 Mg Mg27 1 0.74873924 0.24864523 0.50000000 1.0 Mg Mg28 1 0.75116463 0.75146458 0.00000000 1.0 Mg Mg29 1 0.74873924 0.75135477 0.50000000 1.0 V V30 1 -0.00000000 0.50000000 0.50000000 1.0 Co Co31 1 -0.00000000 -0.00000000 0.00000000 1.0 O O32 1 0.25622602 -0.00000000 -0.00000000 1.0 O O33 1 0.25044589 -0.00000000 0.50000000 1.0 O O34 1 0.25044589 0.50000000 0.00000000 1.0 O O35 1 0.25201380 0.50000000 0.50000000 1.0 O O36 1 0.74377398 -0.00000000 0.00000000 1.0 O O37 1 0.74955411 -0.00000000 0.50000000 1.0 O O38 1 0.74955411 0.50000000 -0.00000000 1.0 O O39 1 0.74798620 0.50000000 0.50000000 1.0 O O40 1 0.24938569 0.25025303 0.25025303 1.0 O O41 1 0.24938569 0.25025303 0.74974697 1.0 O O42 1 0.24938569 0.74974697 0.25025303 1.0 O O43 1 0.24938569 0.74974697 0.74974697 1.0 O O44 1 0.75061431 0.25025303 0.25025303 1.0 O O45 1 0.75061431 0.25025303 0.74974697 1.0 O O46 1 0.75061431 0.74974697 0.25025303 1.0 O O47 1 0.75061431 0.74974697 0.74974697 1.0 O O48 1 -0.00000000 -0.00000000 0.25868378 1.0 O O49 1 -0.00000000 -0.00000000 0.74131622 1.0 O O50 1 -0.00000000 0.50000000 0.25248987 1.0 O O51 1 -0.00000000 0.50000000 0.74751013 1.0 O O52 1 0.50000000 -0.00000000 0.25092553 1.0 O O53 1 0.50000000 -0.00000000 0.74907447 1.0 O O54 1 0.50000000 0.50000000 0.25044379 1.0 O O55 1 0.50000000 0.50000000 0.74955621 1.0 O O56 1 -0.00000000 0.25868378 0.00000000 1.0 O O57 1 -0.00000000 0.25248987 0.50000000 1.0 O O58 1 -0.00000000 0.74131622 -0.00000000 1.0 O O59 1 -0.00000000 0.74751013 0.50000000 1.0 O O60 1 0.50000000 0.25092553 0.00000000 1.0 O O61 1 0.50000000 0.25044379 0.50000000 1.0 O O62 1 0.50000000 0.74907447 -0.00000000 1.0 O O63 1 0.50000000 0.74955621 0.50000000 1.0