# generated using pymatgen data_In2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81329933 _cell_length_b 8.81312684 _cell_length_c 8.81325327 _cell_angle_alpha 109.46946077 _cell_angle_beta 109.47298967 _cell_angle_gamma 109.46915933 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2O3 _chemical_formula_sum 'In16 O24' _cell_volume 526.97971591 _cell_formula_units_Z 8 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 In In0 1 0.75000736 0.28400235 0.53400718 1.0 In In1 1 0.25000207 0.71620933 0.46618611 1.0 In In2 1 0.00000143 0.00027884 0.49999269 1.0 In In3 1 0.50002654 0.99998023 0.00028908 1.0 In In4 1 0.53397508 0.74998013 0.28399100 1.0 In In5 1 0.46620116 0.25000139 0.71620783 1.0 In In6 1 0.74999423 0.78379812 0.03380452 1.0 In In7 1 0.24999548 0.21598506 0.96601417 1.0 In In8 1 0.28397426 0.53396759 0.74998309 1.0 In In9 1 0.03382555 0.74998472 0.78377454 1.0 In In10 1 0.00019915 0.50002173 0.00000712 1.0 In In11 1 0.49973895 0.49974481 0.49974489 1.0 In In12 1 0.96600186 0.25001910 0.21600093 1.0 In In13 1 0.71616984 0.46618783 0.24999272 1.0 In In14 1 0.21602144 0.96603200 0.24999770 1.0 In In15 1 0.78381925 0.03380103 0.75001033 1.0 O O16 1 0.54471638 0.53681346 0.77213559 1.0 O O17 1 0.53682767 0.77213027 0.54471219 1.0 O O18 1 0.96316941 0.50794561 0.23533385 1.0 O O19 1 0.26470990 0.77256845 0.72785985 1.0 O O20 1 0.46309644 0.22764555 0.45529333 1.0 O O21 1 0.04469708 0.27233725 0.00778715 1.0 O O22 1 0.22761230 0.45529147 0.46305487 1.0 O O23 1 0.99215191 0.95531363 0.72743942 1.0 O O24 1 0.27234427 0.73541597 0.22763933 1.0 O O25 1 0.23534832 0.96321810 0.50787381 1.0 O O26 1 0.50789050 0.23528737 0.96318974 1.0 O O27 1 0.00774955 0.04470437 0.27231190 1.0 O O28 1 0.76452619 0.03691753 0.49222744 1.0 O O29 1 0.95530489 0.72748210 0.99209699 1.0 O O30 1 0.22766786 0.27236132 0.73543765 1.0 O O31 1 0.72740806 0.99209735 0.95528183 1.0 O O32 1 0.77259238 0.72788866 0.26471861 1.0 O O33 1 0.72786677 0.26469197 0.77261420 1.0 O O34 1 0.73547488 0.22768663 0.27239844 1.0 O O35 1 0.03690895 0.49219815 0.76455438 1.0 O O36 1 0.27236657 0.00773029 0.04469846 1.0 O O37 1 0.49220448 0.76449859 0.03691524 1.0 O O38 1 0.77213845 0.54473906 0.53681718 1.0 O O39 1 0.45527113 0.46304158 0.22760963 1.0