# generated using pymatgen data_BaP4(W2O7)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49183712 _cell_length_b 9.49183712 _cell_length_c 18.30398697 _cell_angle_alpha 67.28322257 _cell_angle_beta 67.28322257 _cell_angle_gamma 47.75073780 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaP4(W2O7)8 _chemical_formula_sum 'Ba1 P4 W16 O56' _cell_volume 1106.50814220 _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 Ba Ba0 1 0.00000000 0.00000000 0.50000000 1.0 P P1 1 0.12840000 0.53039300 0.56409100 1.0 P P2 1 0.46960700 0.87160000 0.43590900 1.0 P P3 1 0.87160000 0.46960700 0.43590900 1.0 P P4 1 0.53039300 0.12840000 0.56409100 1.0 W W5 1 0.11181600 0.61079200 0.74044700 1.0 W W6 1 0.38920800 0.88818400 0.25955300 1.0 W W7 1 0.88818400 0.38920800 0.25955300 1.0 W W8 1 0.61079200 0.11181600 0.74044700 1.0 W W9 1 0.35676300 0.85215800 0.64188700 1.0 W W10 1 0.14784200 0.64323700 0.35811300 1.0 W W11 1 0.64323700 0.14784200 0.35811300 1.0 W W12 1 0.85215800 0.35676300 0.64188700 1.0 W W13 1 0.36552800 0.86728000 0.84884200 1.0 W W14 1 0.13272000 0.63447200 0.15115800 1.0 W W15 1 0.63447200 0.13272000 0.15115800 1.0 W W16 1 0.86728000 0.36552800 0.84884200 1.0 W W17 1 0.12102000 0.62295500 0.94687400 1.0 W W18 1 0.37704500 0.87898000 0.05312600 1.0 W W19 1 0.87898000 0.37704500 0.05312600 1.0 W W20 1 0.62295500 0.12102000 0.94687400 1.0 O O21 1 0.37205100 0.84201300 0.73972200 1.0 O O22 1 0.15798700 0.62794900 0.26027800 1.0 O O23 1 0.62794900 0.15798700 0.26027800 1.0 O O24 1 0.84201300 0.37205100 0.73972200 1.0 O O25 1 0.35178600 0.35178600 0.72758100 1.0 O O26 1 0.64821400 0.64821400 0.27241900 1.0 O O27 1 0.87424400 0.87424400 0.73149100 1.0 O O28 1 0.12575600 0.12575600 0.26850900 1.0 O O29 1 0.86901700 0.86901700 0.94114000 1.0 O O30 1 0.13098300 0.13098300 0.05886000 1.0 O O31 1 0.37873500 0.37873500 0.94671100 1.0 O O32 1 0.62126500 0.62126500 0.05328900 1.0 O O33 1 0.35204900 0.35204900 0.56198900 1.0 O O34 1 0.64795100 0.64795100 0.43801100 1.0 O O35 1 0.88745800 0.34246800 0.52072400 1.0 O O36 1 0.65753200 0.11254200 0.47927600 1.0 O O37 1 0.11254200 0.65753200 0.47927600 1.0 O O38 1 0.34246800 0.88745800 0.52072400 1.0 O O39 1 0.13239400 0.60676800 0.83676800 1.0 O O40 1 0.39323200 0.86760600 0.16323200 1.0 O O41 1 0.86760600 0.39323200 0.16323200 1.0 O O42 1 0.60676800 0.13239400 0.83676800 1.0 O O43 1 0.25558600 0.71356500 0.67638300 1.0 O O44 1 0.28643500 0.74441400 0.32361700 1.0 O O45 1 0.74441400 0.28643500 0.32361700 1.0 O O46 1 0.71356500 0.25558600 0.67638300 1.0 O O47 1 0.12932700 0.12932700 0.83098000 1.0 O O48 1 0.87067300 0.87067300 0.16902000 1.0 O O49 1 0.60997400 0.60997400 0.85104800 1.0 O O50 1 0.39002600 0.39002600 0.14895200 1.0 O O51 1 0.09710300 0.09710300 0.63870900 1.0 O O52 1 0.90289700 0.90289700 0.36129100 1.0 O O53 1 0.62010600 0.62010600 0.61823800 1.0 O O54 1 0.37989400 0.37989400 0.38176200 1.0 O O55 1 0.88709000 0.36280200 0.94651600 1.0 O O56 1 0.63719800 0.11291000 0.05348400 1.0 O O57 1 0.11291000 0.63719800 0.05348400 1.0 O O58 1 0.36280200 0.88709000 0.94651600 1.0 O O59 1 0.07789300 0.64746600 0.62101500 1.0 O O60 1 0.35253400 0.92210700 0.37898500 1.0 O O61 1 0.92210700 0.35253400 0.37898500 1.0 O O62 1 0.64746600 0.07789300 0.62101500 1.0 O O63 1 0.97094500 0.51189100 0.78547500 1.0 O O64 1 0.48810900 0.02905500 0.21452500 1.0 O O65 1 0.02905500 0.48810900 0.21452500 1.0 O O66 1 0.51189100 0.97094500 0.78547500 1.0 O O67 1 0.01259200 0.45965900 0.58668700 1.0 O O68 1 0.54034100 0.98740800 0.41331300 1.0 O O69 1 0.98740800 0.54034100 0.41331300 1.0 O O70 1 0.45965900 0.01259200 0.58668700 1.0 O O71 1 0.22922400 0.76393700 0.89583400 1.0 O O72 1 0.23606300 0.77077600 0.10416600 1.0 O O73 1 0.77077600 0.23606300 0.10416600 1.0 O O74 1 0.76393700 0.22922400 0.89583400 1.0 O O75 1 0.00000000 0.50000000 0.00000000 1.0 O O76 1 0.50000000 0.00000000 0.00000000 1.0