# generated using pymatgen data_Ti20(Sb3Se)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98629600 _cell_length_b 10.06530400 _cell_length_c 16.67436800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti20(Sb3Se)3 _chemical_formula_sum 'Ti40 Sb18 Se6' _cell_volume 1172.52810278 _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 Ti Ti0 1 0.72180100 0.50548200 0.24864300 1.0 Ti Ti1 1 0.72180100 0.50548200 0.75135700 1.0 Ti Ti2 1 0.59070800 0.20989200 0.50000000 1.0 Ti Ti3 1 0.57506000 0.22044900 0.00000000 1.0 Ti Ti4 1 0.56834900 0.22671300 0.24897600 1.0 Ti Ti5 1 0.56834900 0.22671300 0.75102400 1.0 Ti Ti6 1 0.56144900 0.94823600 0.59695700 1.0 Ti Ti7 1 0.56144900 0.94823600 0.40304300 1.0 Ti Ti8 1 0.55253500 0.94988200 0.10473500 1.0 Ti Ti9 1 0.55253500 0.94988200 0.89526500 1.0 Ti Ti10 1 0.44746500 0.44988200 0.39526500 1.0 Ti Ti11 1 0.43855100 0.44823600 0.90304300 1.0 Ti Ti12 1 0.44746500 0.44988200 0.60473500 1.0 Ti Ti13 1 0.43855100 0.44823600 0.09695700 1.0 Ti Ti14 1 0.43165100 0.72671300 0.25102400 1.0 Ti Ti15 1 0.43165100 0.72671300 0.74897600 1.0 Ti Ti16 1 0.42494000 0.72044900 0.50000000 1.0 Ti Ti17 1 0.40929200 0.70989200 0.00000000 1.0 Ti Ti18 1 0.27819900 0.00548200 0.25135700 1.0 Ti Ti19 1 0.27819900 0.00548200 0.74864300 1.0 Ti Ti20 1 0.22224400 0.99525100 0.50000000 1.0 Ti Ti21 1 0.23673800 0.98943600 0.00000000 1.0 Ti Ti22 1 0.09086900 0.29157400 0.24814000 1.0 Ti Ti23 1 0.09086900 0.29157400 0.75186000 1.0 Ti Ti24 1 0.05033000 0.25682200 0.50000000 1.0 Ti Ti25 1 0.06947800 0.27471500 0.00000000 1.0 Ti Ti26 1 0.05858800 0.54985300 0.15154700 1.0 Ti Ti27 1 0.05929700 0.55155400 0.65928200 1.0 Ti Ti28 1 0.05929700 0.55155400 0.34071800 1.0 Ti Ti29 1 0.05858800 0.54985300 0.84845300 1.0 Ti Ti30 1 0.94141200 0.04985300 0.34845300 1.0 Ti Ti31 1 0.94070300 0.05155400 0.15928200 1.0 Ti Ti32 1 0.94070300 0.05155400 0.84071800 1.0 Ti Ti33 1 0.94141200 0.04985300 0.65154700 1.0 Ti Ti34 1 0.93052200 0.77471500 0.50000000 1.0 Ti Ti35 1 0.94967000 0.75682200 0.00000000 1.0 Ti Ti36 1 0.90913100 0.79157400 0.25186000 1.0 Ti Ti37 1 0.90913100 0.79157400 0.74814000 1.0 Ti Ti38 1 0.76326200 0.48943600 0.50000000 1.0 Ti Ti39 1 0.77775600 0.49525100 0.00000000 1.0 Sb Sb40 1 0.68927200 0.67699000 0.62071000 1.0 Sb Sb41 1 0.68927200 0.67699000 0.37929000 1.0 Sb Sb42 1 0.68549500 0.67998000 0.11978500 1.0 Sb Sb43 1 0.68549500 0.67998000 0.88021500 1.0 Sb Sb44 1 0.31450500 0.17998000 0.38021500 1.0 Sb Sb45 1 0.31072800 0.17699000 0.87929000 1.0 Sb Sb46 1 0.31450500 0.17998000 0.61978500 1.0 Sb Sb47 1 0.31072800 0.17699000 0.12071000 1.0 Sb Sb48 1 0.18487800 0.82142200 0.13205100 1.0 Sb Sb49 1 0.18695400 0.82207000 0.62927700 1.0 Sb Sb50 1 0.18695400 0.82207000 0.37072300 1.0 Sb Sb51 1 0.18487800 0.82142200 0.86794900 1.0 Sb Sb52 1 0.16003700 0.52296500 0.50000000 1.0 Sb Sb53 1 0.83996300 0.02296500 0.00000000 1.0 Sb Sb54 1 0.81512200 0.32142200 0.36794900 1.0 Sb Sb55 1 0.81304600 0.32207000 0.12927700 1.0 Sb Sb56 1 0.81304600 0.32207000 0.87072300 1.0 Sb Sb57 1 0.81512200 0.32142200 0.63205100 1.0 Se Se58 1 0.66192500 0.97881200 0.25298800 1.0 Se Se59 1 0.66192500 0.97881200 0.74701200 1.0 Se Se60 1 0.33807500 0.47881200 0.24701200 1.0 Se Se61 1 0.33807500 0.47881200 0.75298800 1.0 Se Se62 1 0.16217500 0.52533400 0.00000000 1.0 Se Se63 1 0.83782500 0.02533400 0.50000000 1.0