# generated using pymatgen data_Mg(CoO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97812688 _cell_length_b 5.97812688 _cell_length_c 14.60671300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000975 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(CoO2)2 _chemical_formula_sum 'Mg6 Co12 O24' _cell_volume 452.07796759 _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 Mg Mg0 1 0.66666700 0.33333300 0.95589800 1.0 Mg Mg1 1 0.33333300 0.66666700 0.62429600 1.0 Mg Mg2 1 0.33333300 0.66666700 0.99892800 1.0 Mg Mg3 1 0.00000000 0.00000000 0.29101800 1.0 Mg Mg4 1 0.66666700 0.33333300 0.70991100 1.0 Mg Mg5 1 0.33333300 0.66666700 0.37520200 1.0 Co Co6 1 0.16795700 0.83204300 0.83366400 1.0 Co Co7 1 0.16795700 0.33591500 0.83366400 1.0 Co Co8 1 0.83322100 0.16677900 0.50010500 1.0 Co Co9 1 0.66408500 0.83204300 0.83366400 1.0 Co Co10 1 0.00000000 0.00000000 0.66704700 1.0 Co Co11 1 0.83322100 0.66644200 0.50010500 1.0 Co Co12 1 0.50052100 0.49947900 0.16679000 1.0 Co Co13 1 0.33355800 0.16677900 0.50010500 1.0 Co Co14 1 0.99895700 0.49947900 0.16679000 1.0 Co Co15 1 0.66666700 0.33333300 0.33316500 1.0 Co Co16 1 0.50052100 0.00104300 0.16679000 1.0 Co Co17 1 0.00000000 0.00000000 0.04458300 1.0 O O18 1 0.48902300 0.97804700 0.90647300 1.0 O O19 1 0.33333300 0.66666700 0.75878800 1.0 O O20 1 0.02195300 0.51097700 0.90647300 1.0 O O21 1 0.48902300 0.51097700 0.90647300 1.0 O O22 1 0.84883400 0.15116600 0.75323300 1.0 O O23 1 0.15437000 0.30874100 0.57746300 1.0 O O24 1 0.30233100 0.15116600 0.75323300 1.0 O O25 1 0.00000000 0.00000000 0.90932300 1.0 O O26 1 0.69125900 0.84563000 0.57746300 1.0 O O27 1 0.00000000 0.00000000 0.42609100 1.0 O O28 1 0.84883400 0.69766900 0.75323300 1.0 O O29 1 0.15437000 0.84563000 0.57746300 1.0 O O30 1 0.51262200 0.48737800 0.42144600 1.0 O O31 1 0.81887500 0.63775100 0.24868200 1.0 O O32 1 0.97475500 0.48737800 0.42144600 1.0 O O33 1 0.66666700 0.33333300 0.57444600 1.0 O O34 1 0.66666700 0.33333300 0.09199600 1.0 O O35 1 0.36224900 0.18112500 0.24868200 1.0 O O36 1 0.51262200 0.02524500 0.42144600 1.0 O O37 1 0.81887500 0.18112500 0.24868200 1.0 O O38 1 0.17587500 0.82412500 0.09110100 1.0 O O39 1 0.33333300 0.66666700 0.24055000 1.0 O O40 1 0.64824900 0.82412500 0.09110100 1.0 O O41 1 0.17587500 0.35175100 0.09110100 1.0