# generated using pymatgen data_PWO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42113900 _cell_length_b 12.50136200 _cell_length_c 13.29901200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PWO5 _chemical_formula_sum 'P8 W8 O40' _cell_volume 901.29560215 _cell_formula_units_Z 8 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 P P0 1 0.23474900 0.36832500 0.51986700 1.0 P P1 1 0.23474900 0.13167500 0.51986700 1.0 P P2 1 0.76525100 0.63167500 0.48013300 1.0 P P3 1 0.26525100 0.86832500 0.01986700 1.0 P P4 1 0.76525100 0.86832500 0.48013300 1.0 P P5 1 0.73474900 0.36832500 0.98013300 1.0 P P6 1 0.26525100 0.63167500 0.01986700 1.0 P P7 1 0.73474900 0.13167500 0.98013300 1.0 W W8 1 0.75657100 0.59843900 0.84844800 1.0 W W9 1 0.75657100 0.90156100 0.84844800 1.0 W W10 1 0.74342900 0.40156100 0.34844800 1.0 W W11 1 0.74342900 0.09843900 0.34844800 1.0 W W12 1 0.25657100 0.59843900 0.65155200 1.0 W W13 1 0.24342900 0.09843900 0.15155200 1.0 W W14 1 0.25657100 0.90156100 0.65155200 1.0 W W15 1 0.24342900 0.40156100 0.15155200 1.0 O O16 1 0.24979600 0.55997700 0.11309900 1.0 O O17 1 0.74979600 0.55997700 0.38690100 1.0 O O18 1 0.48629800 0.92302200 0.75591900 1.0 O O19 1 0.25054300 0.75000000 0.66806000 1.0 O O20 1 0.75054300 0.75000000 0.83194000 1.0 O O21 1 0.51506900 0.87957900 0.96812400 1.0 O O22 1 0.51370200 0.42302200 0.24408100 1.0 O O23 1 0.74714100 0.25000000 0.93236900 1.0 O O24 1 0.75285900 0.75000000 0.43236900 1.0 O O25 1 0.48493100 0.37957900 0.03187600 1.0 O O26 1 0.95376000 0.38280700 0.04938000 1.0 O O27 1 0.25020400 0.05997700 0.61309900 1.0 O O28 1 0.75020400 0.05997700 0.88690100 1.0 O O29 1 0.48629800 0.57697800 0.75591900 1.0 O O30 1 0.25285900 0.75000000 0.06763100 1.0 O O31 1 0.01506900 0.62042100 0.53187600 1.0 O O32 1 0.98629800 0.92302200 0.74408100 1.0 O O33 1 0.54624000 0.61719300 0.54938000 1.0 O O34 1 0.98629800 0.57697800 0.74408100 1.0 O O35 1 0.98493100 0.12042100 0.46812400 1.0 O O36 1 0.24945700 0.25000000 0.16806000 1.0 O O37 1 0.95376000 0.11719300 0.04938000 1.0 O O38 1 0.54624000 0.88280700 0.54938000 1.0 O O39 1 0.98493100 0.37957900 0.46812400 1.0 O O40 1 0.75020400 0.44002300 0.88690100 1.0 O O41 1 0.48493100 0.12042100 0.03187600 1.0 O O42 1 0.01506900 0.87957900 0.53187600 1.0 O O43 1 0.04624000 0.61719300 0.95062000 1.0 O O44 1 0.74979600 0.94002300 0.38690100 1.0 O O45 1 0.45376000 0.38280700 0.45062000 1.0 O O46 1 0.25020400 0.44002300 0.61309900 1.0 O O47 1 0.01370200 0.42302200 0.25591900 1.0 O O48 1 0.45376000 0.11719300 0.45062000 1.0 O O49 1 0.01370200 0.07697800 0.25591900 1.0 O O50 1 0.24979600 0.94002300 0.11309900 1.0 O O51 1 0.24714100 0.25000000 0.56763100 1.0 O O52 1 0.51370200 0.07697800 0.24408100 1.0 O O53 1 0.51506900 0.62042100 0.96812400 1.0 O O54 1 0.04624000 0.88280700 0.95062000 1.0 O O55 1 0.74945700 0.25000000 0.33194000 1.0