# generated using pymatgen data_Ti3VSb2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.93684671 _cell_length_b 8.93684671 _cell_length_c 8.93684695 _cell_angle_alpha 58.39906625 _cell_angle_beta 58.39906625 _cell_angle_gamma 58.39907473 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3VSb2(PO4)6 _chemical_formula_sum 'Ti3 V1 Sb2 P6 O24' _cell_volume 486.21129740 _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 0.35125800 0.35125800 0.35125800 1.0 Ti Ti1 1 0.14717900 0.14717900 0.14717900 1.0 Ti Ti2 1 0.64881200 0.64881200 0.64881200 1.0 V V3 1 0.85433200 0.85433200 0.85433200 1.0 Sb Sb4 1 0.99668700 0.99668700 0.99668700 1.0 Sb Sb5 1 0.49736100 0.49736100 0.49736100 1.0 P P6 1 0.04243400 0.45869400 0.74997400 1.0 P P7 1 0.45869400 0.74997400 0.04243400 1.0 P P8 1 0.74997400 0.04243400 0.45869400 1.0 P P9 1 0.25211500 0.95903600 0.54005500 1.0 P P10 1 0.54005500 0.25211500 0.95903600 1.0 P P11 1 0.95903600 0.54005500 0.25211500 1.0 O O12 1 0.49514100 0.69900700 0.88216700 1.0 O O13 1 0.69900700 0.88216700 0.49514100 1.0 O O14 1 0.88216700 0.49514100 0.69900700 1.0 O O15 1 0.06230900 0.26666500 0.91647000 1.0 O O16 1 0.01727700 0.61169400 0.79540700 1.0 O O17 1 0.23363700 0.43090300 0.58062700 1.0 O O18 1 0.26666500 0.91647000 0.06230900 1.0 O O19 1 0.43090300 0.58062700 0.23363700 1.0 O O20 1 0.19844900 0.99547400 0.38280800 1.0 O O21 1 0.58062700 0.23363700 0.43090300 1.0 O O22 1 0.08874300 0.94226000 0.73097000 1.0 O O23 1 0.38280800 0.19844900 0.99547400 1.0 O O24 1 0.61169400 0.79540700 0.01727700 1.0 O O25 1 0.91647000 0.06230900 0.26666500 1.0 O O26 1 0.41946400 0.76943300 0.56018600 1.0 O O27 1 0.79540700 0.01727700 0.61169400 1.0 O O28 1 0.56018600 0.41946400 0.76943300 1.0 O O29 1 0.73097000 0.08874300 0.94226000 1.0 O O30 1 0.76943300 0.56018600 0.41946400 1.0 O O31 1 0.99547400 0.38280800 0.19844900 1.0 O O32 1 0.94226000 0.73097000 0.08874300 1.0 O O33 1 0.11790300 0.49940200 0.30566700 1.0 O O34 1 0.30566700 0.11790300 0.49940200 1.0 O O35 1 0.49940200 0.30566700 0.11790300 1.0