# generated using pymatgen data_Ti11CuP8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44985312 _cell_length_b 9.40577298 _cell_length_c 18.36013816 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti11CuP8 _chemical_formula_sum 'Ti22 Cu2 P16' _cell_volume 595.75959048 _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 0.50000000 0.26830402 0.30239162 1.0 Ti Ti1 1 0.50000000 0.73169598 0.69760838 1.0 Ti Ti2 1 0.50000000 0.23169598 0.80239162 1.0 Ti Ti3 1 0.50000000 0.76830402 0.19760838 1.0 Ti Ti4 1 -0.00000000 0.18807852 0.43264385 1.0 Ti Ti5 1 -0.00000000 0.81192148 0.56735615 1.0 Ti Ti6 1 0.00000000 0.31192148 0.93264385 1.0 Ti Ti7 1 0.00000000 0.68807852 0.06735615 1.0 Ti Ti8 1 -0.00000000 0.35524019 0.08762066 1.0 Ti Ti9 1 0.00000000 0.64475981 0.91237934 1.0 Ti Ti10 1 0.00000000 0.14475981 0.58762066 1.0 Ti Ti11 1 -0.00000000 0.85524019 0.41237934 1.0 Ti Ti12 1 0.50000000 0.09808660 0.14506000 1.0 Ti Ti13 1 0.50000000 0.90191340 0.85494000 1.0 Ti Ti14 1 0.50000000 0.40191340 0.64506000 1.0 Ti Ti15 1 0.50000000 0.59808660 0.35494000 1.0 Ti Ti16 1 -0.00000000 0.00604454 0.27199548 1.0 Ti Ti17 1 0.00000000 0.99395546 0.72800452 1.0 Ti Ti18 1 -0.00000000 0.49395546 0.77199548 1.0 Ti Ti19 1 -0.00000000 0.50604454 0.22800452 1.0 Ti Ti20 1 0.00000000 -0.00000000 -0.00000000 1.0 Ti Ti21 1 -0.00000000 0.50000000 0.50000000 1.0 Cu Cu22 1 0.50000000 -0.00000000 0.50000000 1.0 Cu Cu23 1 0.50000000 0.50000000 -0.00000000 1.0 P P24 1 -0.00000000 0.24401680 0.20711579 1.0 P P25 1 -0.00000000 0.75598320 0.79288421 1.0 P P26 1 0.00000000 0.25598320 0.70711579 1.0 P P27 1 -0.00000000 0.74401680 0.29288421 1.0 P P28 1 0.50000000 0.03911196 0.37011652 1.0 P P29 1 0.50000000 0.96088804 0.62988348 1.0 P P30 1 0.50000000 0.46088804 0.87011652 1.0 P P31 1 0.50000000 0.53911196 0.12988348 1.0 P P32 1 0.50000000 0.20570955 0.02064384 1.0 P P33 1 0.50000000 0.79429045 0.97935616 1.0 P P34 1 0.50000000 0.29429045 0.52064384 1.0 P P35 1 0.50000000 0.70570955 0.47935616 1.0 P P36 1 -0.00000000 0.41398478 0.36767977 1.0 P P37 1 -0.00000000 0.58601522 0.63232023 1.0 P P38 1 0.00000000 0.08601522 0.86767977 1.0 P P39 1 0.00000000 0.91398478 0.13232023 1.0