# generated using pymatgen data_Ti4O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91134600 _cell_length_b 7.44378945 _cell_length_c 12.23415339 _cell_angle_alpha 97.04692900 _cell_angle_beta 92.30515807 _cell_angle_gamma 111.82347105 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4O7 _chemical_formula_sum 'Ti16 O28' _cell_volume 493.82448257 _cell_formula_units_Z 4 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 Ti Ti0 1 0.21509600 0.64622700 0.57510700 1.0 Ti Ti1 1 0.03827100 0.31793400 0.77433100 1.0 Ti Ti2 1 0.22870000 0.59423600 0.06484000 1.0 Ti Ti3 1 0.35627800 0.55072300 0.30646000 1.0 Ti Ti4 1 0.20341800 0.16952300 0.54573000 1.0 Ti Ti5 1 0.29288800 0.02079900 0.83240100 1.0 Ti Ti6 1 0.22734700 0.13760100 0.07171800 1.0 Ti Ti7 1 0.63637200 0.92799600 0.69840400 1.0 Ti Ti8 1 0.36362800 0.07200400 0.30159600 1.0 Ti Ti9 1 0.77265300 0.86239900 0.92828200 1.0 Ti Ti10 1 0.70711200 0.97920100 0.16759900 1.0 Ti Ti11 1 0.79658200 0.83047700 0.45427000 1.0 Ti Ti12 1 0.64372200 0.44927700 0.69354000 1.0 Ti Ti13 1 0.77130000 0.40576400 0.93516000 1.0 Ti Ti14 1 0.96172900 0.68206600 0.22566900 1.0 Ti Ti15 1 0.78490400 0.35377300 0.42489300 1.0 O O16 1 0.00495600 0.51146500 0.69471900 1.0 O O17 1 0.12737500 0.89653300 0.96297000 1.0 O O18 1 0.13073400 0.45409700 0.91616600 1.0 O O19 1 0.30443700 0.91088000 0.66021600 1.0 O O20 1 0.09830100 0.35520500 0.49835600 1.0 O O21 1 0.31874800 0.77711700 0.22159600 1.0 O O22 1 0.04290200 0.98244200 0.19401600 1.0 O O23 1 0.50103700 0.87805300 0.84786500 1.0 O O24 1 0.42199400 0.70917900 0.45236700 1.0 O O25 1 0.30445400 0.27622400 0.71003300 1.0 O O26 1 0.13358900 0.97465400 0.40975300 1.0 O O27 1 0.53143000 0.64770100 0.65980700 1.0 O O28 1 0.27547700 0.40709900 0.14036700 1.0 O O29 1 0.42792400 0.23543500 0.94944300 1.0 O O30 1 0.57207600 0.76456500 0.05055700 1.0 O O31 1 0.72452300 0.59290100 0.85963300 1.0 O O32 1 0.46857000 0.35229900 0.34019300 1.0 O O33 1 0.86641100 0.02534600 0.59024700 1.0 O O34 1 0.69554600 0.72377600 0.28996700 1.0 O O35 1 0.57800600 0.29082100 0.54763300 1.0 O O36 1 0.49896300 0.12194700 0.15213500 1.0 O O37 1 0.95709800 0.01755800 0.80598400 1.0 O O38 1 0.68125200 0.22288300 0.77840400 1.0 O O39 1 0.90169900 0.64479500 0.50164400 1.0 O O40 1 0.69556300 0.08912000 0.33978400 1.0 O O41 1 0.86926600 0.54590300 0.08383400 1.0 O O42 1 0.87262500 0.10346700 0.03703000 1.0 O O43 1 0.99504400 0.48853500 0.30528100 1.0