# generated using pymatgen data_Ti9(BeP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.12978326 _cell_length_b 11.12978326 _cell_length_c 3.38499567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti9(BeP2)2 _chemical_formula_sum 'Ti18 Be4 P8' _cell_volume 419.30643886 _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 0.00000000 0.00000000 0.00000000 1.0 Ti Ti1 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti2 1 0.10746611 0.18098595 0.50000000 1.0 Ti Ti3 1 0.18098595 0.89253389 0.50000000 1.0 Ti Ti4 1 0.81901405 0.10746611 0.50000000 1.0 Ti Ti5 1 0.89253389 0.81901405 0.50000000 1.0 Ti Ti6 1 0.39253389 0.68098595 0.50000000 1.0 Ti Ti7 1 0.60746611 0.31901405 0.50000000 1.0 Ti Ti8 1 0.68098595 0.60746611 0.50000000 1.0 Ti Ti9 1 0.31901405 0.39253389 0.50000000 1.0 Ti Ti10 1 0.09816694 0.40183306 0.00000000 1.0 Ti Ti11 1 0.40183306 0.90183306 0.00000000 1.0 Ti Ti12 1 0.59816694 0.09816694 0.00000000 1.0 Ti Ti13 1 0.90183306 0.59816694 0.00000000 1.0 Ti Ti14 1 0.38609963 0.11390037 0.50000000 1.0 Ti Ti15 1 0.11390037 0.61390037 0.50000000 1.0 Ti Ti16 1 0.88609963 0.38609963 0.50000000 1.0 Ti Ti17 1 0.61390037 0.88609963 0.50000000 1.0 Be Be18 1 0.25876986 0.24123014 0.00000000 1.0 Be Be19 1 0.24123014 0.74123014 0.00000000 1.0 Be Be20 1 0.75876986 0.25876986 0.00000000 1.0 Be Be21 1 0.74123014 0.75876986 0.00000000 1.0 P P22 1 0.22555038 0.05245892 0.00000000 1.0 P P23 1 0.05245892 0.77444962 0.00000000 1.0 P P24 1 0.94754108 0.22555038 0.00000000 1.0 P P25 1 0.77444962 0.94754108 0.00000000 1.0 P P26 1 0.27444962 0.55245892 0.00000000 1.0 P P27 1 0.72555038 0.44754108 0.00000000 1.0 P P28 1 0.55245892 0.72555038 0.00000000 1.0 P P29 1 0.44754108 0.27444962 0.00000000 1.0