# generated using pymatgen data_Ti3Cu2P6WO24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70317973 _cell_length_b 8.70317973 _cell_length_c 8.70317982 _cell_angle_alpha 59.97038478 _cell_angle_beta 59.97038478 _cell_angle_gamma 59.97038784 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Cu2P6WO24 _chemical_formula_sum 'Ti3 Cu2 P6 W1 O24' _cell_volume 465.82963462 _cell_formula_units_Z 1 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 0.64185600 0.64185600 0.64185600 1.0 Ti Ti1 1 0.85808500 0.85808500 0.85808500 1.0 Ti Ti2 1 0.35780400 0.35780400 0.35780400 1.0 Cu Cu3 1 0.99557900 0.99557900 0.99557900 1.0 Cu Cu4 1 0.49991700 0.49991700 0.49991700 1.0 P P5 1 0.25118300 0.54237300 0.95913400 1.0 P P6 1 0.95913400 0.25118300 0.54237300 1.0 P P7 1 0.54237300 0.95913400 0.25118300 1.0 P P8 1 0.46365900 0.03935300 0.74699100 1.0 P P9 1 0.03935300 0.74699100 0.46365900 1.0 P P10 1 0.74699100 0.46365900 0.03935300 1.0 W W11 1 0.14169200 0.14169200 0.14169200 1.0 O O12 1 0.12515200 0.30313800 0.49906000 1.0 O O13 1 0.49906000 0.12515200 0.30313800 1.0 O O14 1 0.30313800 0.49906000 0.12515200 1.0 O O15 1 0.08384700 0.72972600 0.94174700 1.0 O O16 1 0.19817600 0.38290700 0.99194000 1.0 O O17 1 0.41699900 0.56003000 0.77066300 1.0 O O18 1 0.94174700 0.08384700 0.72972600 1.0 O O19 1 0.77066300 0.41699900 0.56003000 1.0 O O20 1 0.62535400 0.00027800 0.80294800 1.0 O O21 1 0.56003000 0.77066300 0.41699900 1.0 O O22 1 0.27406000 0.05801500 0.91202500 1.0 O O23 1 0.00027800 0.80294800 0.62535400 1.0 O O24 1 0.99194000 0.19817600 0.38290700 1.0 O O25 1 0.72972600 0.94174700 0.08384700 1.0 O O26 1 0.44234300 0.22878900 0.58289100 1.0 O O27 1 0.38290700 0.99194000 0.19817600 1.0 O O28 1 0.22878900 0.58289100 0.44234300 1.0 O O29 1 0.05801500 0.91202500 0.27406000 1.0 O O30 1 0.58289100 0.44234300 0.22878900 1.0 O O31 1 0.80294800 0.62535400 0.00027800 1.0 O O32 1 0.91202500 0.27406000 0.05801500 1.0 O O33 1 0.69720700 0.50003700 0.87504100 1.0 O O34 1 0.50003700 0.87504100 0.69720700 1.0 O O35 1 0.87504100 0.69720700 0.50003700 1.0