# generated using pymatgen data_Mg4Al2H12CO18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32541999 _cell_length_b 5.32541999 _cell_length_c 15.05333200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999994 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Al2H12CO18 _chemical_formula_sum 'Mg4 Al2 H12 C1 O18' _cell_volume 369.71834573 _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 0.66666700 0.33333300 0.74426400 1.0 Mg Mg1 1 0.66666700 0.33333300 0.25573600 1.0 Mg Mg2 1 0.33333300 0.66666700 0.74426400 1.0 Mg Mg3 1 0.33333300 0.66666700 0.25573600 1.0 Al Al4 1 0.00000000 0.00000000 0.74435400 1.0 Al Al5 1 0.00000000 0.00000000 0.25564600 1.0 H H6 1 0.68379000 0.00000000 0.61292200 1.0 H H7 1 0.00000000 0.68379000 0.61292200 1.0 H H8 1 0.31621000 0.31621000 0.61292200 1.0 H H9 1 0.68379000 0.00000000 0.38707800 1.0 H H10 1 0.00000000 0.68379000 0.38707800 1.0 H H11 1 0.31621000 0.31621000 0.38707800 1.0 H H12 1 0.00000000 0.30805200 0.87620800 1.0 H H13 1 0.69194800 0.69194800 0.87620800 1.0 H H14 1 0.30805200 0.00000000 0.87620800 1.0 H H15 1 0.00000000 0.30805200 0.12379200 1.0 H H16 1 0.69194800 0.69194800 0.12379200 1.0 H H17 1 0.30805200 0.00000000 0.12379200 1.0 C C18 1 0.00000000 0.00000000 0.00000000 1.0 O O19 1 0.75916600 0.75916600 0.00000000 1.0 O O20 1 0.24083400 0.00000000 0.00000000 1.0 O O21 1 0.00000000 0.24083400 0.00000000 1.0 O O22 1 0.41421200 0.41421200 0.50000000 1.0 O O23 1 0.58578800 0.00000000 0.50000000 1.0 O O24 1 0.00000000 0.58578800 0.50000000 1.0 O O25 1 0.69030900 0.69030900 0.81110300 1.0 O O26 1 0.30969100 0.00000000 0.81110300 1.0 O O27 1 0.00000000 0.30969100 0.81110300 1.0 O O28 1 0.69030900 0.69030900 0.18889700 1.0 O O29 1 0.30969100 0.00000000 0.18889700 1.0 O O30 1 0.00000000 0.30969100 0.18889700 1.0 O O31 1 0.00000000 0.68931600 0.67851700 1.0 O O32 1 0.31068400 0.31068400 0.67851700 1.0 O O33 1 0.68931600 0.00000000 0.67851700 1.0 O O34 1 0.00000000 0.68931600 0.32148300 1.0 O O35 1 0.31068400 0.31068400 0.32148300 1.0 O O36 1 0.68931600 0.00000000 0.32148300 1.0