# generated using pymatgen data_Ca4Al3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59322000 _cell_length_b 7.79728301 _cell_length_c 8.53042125 _cell_angle_alpha 76.93288997 _cell_angle_beta 76.00129223 _cell_angle_gamma 83.35294783 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Al3O10 _chemical_formula_sum 'Ca8 Al6 O20' _cell_volume 476.36991787 _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 0.38733600 0.81562100 0.48708800 1.0 Ca Ca1 1 0.54668700 0.81163300 0.90728500 1.0 Ca Ca2 1 0.80807700 0.74237700 0.54224400 1.0 Ca Ca3 1 0.02732100 0.80201200 0.89923400 1.0 Ca Ca4 1 0.97267900 0.19798800 0.10076600 1.0 Ca Ca5 1 0.19192300 0.25762300 0.45775600 1.0 Ca Ca6 1 0.45331300 0.18836700 0.09271500 1.0 Ca Ca7 1 0.61266400 0.18437900 0.51291200 1.0 Al Al8 1 0.75081500 0.83903300 0.20317400 1.0 Al Al9 1 0.21094700 0.87473700 0.18319900 1.0 Al Al10 1 0.59895700 0.54399400 0.23380300 1.0 Al Al11 1 0.24918500 0.16096700 0.79682600 1.0 Al Al12 1 0.40104300 0.45600600 0.76619700 1.0 Al Al13 1 0.78905300 0.12526300 0.81680100 1.0 O O14 1 0.20129400 0.05073900 0.28879500 1.0 O O15 1 0.27375000 0.97217800 0.96717700 1.0 O O16 1 0.66205300 0.96845300 0.36426900 1.0 O O17 1 0.54254200 0.63501300 0.73669100 1.0 O O18 1 0.99059000 0.82473900 0.19047400 1.0 O O19 1 0.39767800 0.72662600 0.21347500 1.0 O O20 1 0.92756100 0.44928100 0.52433600 1.0 O O21 1 0.75080000 0.67893100 0.05929700 1.0 O O22 1 0.23591500 0.65344400 0.73421000 1.0 O O23 1 0.34328100 0.34703400 0.62220600 1.0 O O24 1 0.65671900 0.65296600 0.37779400 1.0 O O25 1 0.76408500 0.34655600 0.26579000 1.0 O O26 1 0.24920000 0.32106900 0.94070300 1.0 O O27 1 0.07243900 0.55071900 0.47566400 1.0 O O28 1 0.60232200 0.27337400 0.78652500 1.0 O O29 1 0.00941000 0.17526100 0.80952600 1.0 O O30 1 0.45745800 0.36498700 0.26330900 1.0 O O31 1 0.33794700 0.03154700 0.63573100 1.0 O O32 1 0.72625000 0.02782200 0.03282300 1.0 O O33 1 0.79870600 0.94926100 0.71120500 1.0