# generated using pymatgen data_Ta7(P2O7)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.78461149 _cell_length_b 11.78461149 _cell_length_c 11.78461123 _cell_angle_alpha 60.29423094 _cell_angle_beta 60.29423094 _cell_angle_gamma 60.29422940 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta7(P2O7)8 _chemical_formula_sum 'Ta7 P16 O56' _cell_volume 1164.96518169 _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 Ta Ta0 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta1 1 0.00000000 0.50000000 0.00000000 1.0 Ta Ta2 1 0.50000000 0.00000000 0.50000000 1.0 Ta Ta3 1 0.50000000 0.00000000 0.00000000 1.0 Ta Ta4 1 0.50000000 0.50000000 0.50000000 1.0 Ta Ta5 1 0.00000000 0.50000000 0.50000000 1.0 Ta Ta6 1 0.50000000 0.50000000 0.00000000 1.0 P P7 1 0.69624900 0.19879900 0.40896400 1.0 P P8 1 0.30274600 0.07964400 0.81035000 1.0 P P9 1 0.92035600 0.18965000 0.69725400 1.0 P P10 1 0.80120100 0.59103600 0.30375100 1.0 P P11 1 0.59103600 0.30375100 0.80120100 1.0 P P12 1 0.19463700 0.19463700 0.19463700 1.0 P P13 1 0.81035000 0.30274600 0.07964400 1.0 P P14 1 0.69512700 0.69512700 0.69512700 1.0 P P15 1 0.30487300 0.30487300 0.30487300 1.0 P P16 1 0.18965000 0.69725400 0.92035600 1.0 P P17 1 0.80536300 0.80536300 0.80536300 1.0 P P18 1 0.40896400 0.69624900 0.19879900 1.0 P P19 1 0.19879900 0.40896400 0.69624900 1.0 P P20 1 0.07964400 0.81035000 0.30274600 1.0 P P21 1 0.69725400 0.92035600 0.18965000 1.0 P P22 1 0.30375100 0.80120100 0.59103600 1.0 O O23 1 0.74337400 0.26300600 0.24860000 1.0 O O24 1 0.62344700 0.09819600 0.45679100 1.0 O O25 1 0.81981200 0.12448400 0.45971700 1.0 O O26 1 0.38767700 0.03995100 0.67459600 1.0 O O27 1 0.95978900 0.12715900 0.58650700 1.0 O O28 1 0.87551600 0.54028300 0.18018800 1.0 O O29 1 0.59462800 0.32013700 0.46461700 1.0 O O30 1 0.90180400 0.54320900 0.37655300 1.0 O O31 1 0.41349300 0.04021100 0.87284100 1.0 O O32 1 0.96767600 0.09183300 0.81552300 1.0 O O33 1 0.18447700 0.03232400 0.90816700 1.0 O O34 1 0.96004900 0.32540400 0.61232300 1.0 O O35 1 0.67986300 0.53538300 0.40537200 1.0 O O36 1 0.26300600 0.24860000 0.74337400 1.0 O O37 1 0.75140000 0.25662600 0.73699400 1.0 O O38 1 0.73699400 0.75140000 0.25662600 1.0 O O39 1 0.54028300 0.18018800 0.87551600 1.0 O O40 1 0.53538300 0.40537200 0.67986300 1.0 O O41 1 0.31936100 0.09518600 0.12256900 1.0 O O42 1 0.81969200 0.59371000 0.62497300 1.0 O O43 1 0.90816700 0.18447700 0.03232400 1.0 O O44 1 0.54320900 0.37655300 0.90180400 1.0 O O45 1 0.12256900 0.31936100 0.09518600 1.0 O O46 1 0.67459600 0.38767700 0.03995100 1.0 O O47 1 0.62497300 0.81969200 0.59371000 1.0 O O48 1 0.59371000 0.62497300 0.81969200 1.0 O O49 1 0.09518600 0.12256900 0.31936100 1.0 O O50 1 0.87284100 0.41349300 0.04021100 1.0 O O51 1 0.75020000 0.75020000 0.75020000 1.0 O O52 1 0.25662600 0.73699400 0.75140000 1.0 O O53 1 0.24980000 0.24980000 0.24980000 1.0 O O54 1 0.90481400 0.87743100 0.68063900 1.0 O O55 1 0.12715900 0.58650700 0.95978900 1.0 O O56 1 0.40629000 0.37502700 0.18030800 1.0 O O57 1 0.32540400 0.61232300 0.96004900 1.0 O O58 1 0.37502700 0.18030800 0.40629000 1.0 O O59 1 0.87743100 0.68063900 0.90481400 1.0 O O60 1 0.45679100 0.62344700 0.09819600 1.0 O O61 1 0.09183300 0.81552300 0.96767600 1.0 O O62 1 0.68063900 0.90481400 0.87743100 1.0 O O63 1 0.18030800 0.40629000 0.37502700 1.0 O O64 1 0.46461700 0.59462800 0.32013700 1.0 O O65 1 0.45971700 0.81981200 0.12448400 1.0 O O66 1 0.24860000 0.74337400 0.26300600 1.0 O O67 1 0.32013700 0.46461700 0.59462800 1.0 O O68 1 0.81552300 0.96767600 0.09183300 1.0 O O69 1 0.03995100 0.67459600 0.38767700 1.0 O O70 1 0.03232400 0.90816700 0.18447700 1.0 O O71 1 0.09819600 0.45679100 0.62344700 1.0 O O72 1 0.58650700 0.95978900 0.12715900 1.0 O O73 1 0.40537200 0.67986300 0.53538300 1.0 O O74 1 0.61232300 0.96004900 0.32540400 1.0 O O75 1 0.12448400 0.45971700 0.81981200 1.0 O O76 1 0.04021100 0.87284100 0.41349300 1.0 O O77 1 0.18018800 0.87551600 0.54028300 1.0 O O78 1 0.37655300 0.90180400 0.54320900 1.0