# generated using pymatgen data_MgTi5O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.99059244 _cell_length_b 5.22559240 _cell_length_c 7.49752864 _cell_angle_alpha 70.57525965 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi5O10 _chemical_formula_sum 'Mg2 Ti10 O20' _cell_volume 369.14164863 _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 Mg Mg0 1 0.75000000 0.96004051 0.65185571 1.0 Mg Mg1 1 0.25000000 0.03995949 0.34814429 1.0 Ti Ti2 1 0.43827574 0.04567755 0.67900303 1.0 Ti Ti3 1 0.06172426 0.04567755 0.67900303 1.0 Ti Ti4 1 0.93827574 0.95432245 0.32099697 1.0 Ti Ti5 1 0.56172426 0.95432245 0.32099697 1.0 Ti Ti6 1 0.43508920 0.54538778 0.18317608 1.0 Ti Ti7 1 0.06491080 0.54538778 0.18317608 1.0 Ti Ti8 1 0.75000000 0.45684813 0.15398384 1.0 Ti Ti9 1 0.25000000 0.54315187 0.84601616 1.0 Ti Ti10 1 0.56491080 0.45461222 0.81682392 1.0 Ti Ti11 1 0.93508920 0.45461222 0.81682392 1.0 O O12 1 0.61216228 0.18267320 0.72744079 1.0 O O13 1 0.88783772 0.18267320 0.72744079 1.0 O O14 1 0.06712265 0.21839926 0.40437992 1.0 O O15 1 0.43287735 0.21839926 0.40437992 1.0 O O16 1 0.25000000 0.90845554 0.64312553 1.0 O O17 1 0.75000000 0.09154446 0.35687447 1.0 O O18 1 0.56712265 0.78160074 0.59562008 1.0 O O19 1 0.93287735 0.78160074 0.59562008 1.0 O O20 1 0.38783772 0.81732680 0.27255921 1.0 O O21 1 0.11216228 0.81732680 0.27255921 1.0 O O22 1 0.61798620 0.67725641 0.22625192 1.0 O O23 1 0.88201380 0.67725641 0.22625192 1.0 O O24 1 0.06869031 0.71485650 0.90607148 1.0 O O25 1 0.43130969 0.71485650 0.90607148 1.0 O O26 1 0.25000000 0.41580750 0.13043502 1.0 O O27 1 0.75000000 0.58419250 0.86956498 1.0 O O28 1 0.93130969 0.28514350 0.09392852 1.0 O O29 1 0.56869031 0.28514350 0.09392852 1.0 O O30 1 0.38201380 0.32274359 0.77374808 1.0 O O31 1 0.11798620 0.32274359 0.77374808 1.0