# generated using pymatgen data_Ta(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29691900 _cell_length_b 8.04644900 _cell_length_c 15.95807300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta(PO4)2 _chemical_formula_sum 'Ta4 P8 O32' _cell_volume 680.15523049 _cell_formula_units_Z 4 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 0.25000000 0.47412500 0.64215200 1.0 Ta Ta1 1 0.25000000 0.02587500 0.14215200 1.0 Ta Ta2 1 0.75000000 0.52587500 0.35784800 1.0 Ta Ta3 1 0.75000000 0.97412500 0.85784800 1.0 P P4 1 0.75000000 0.28412100 0.54267400 1.0 P P5 1 0.75000000 0.21587900 0.04267400 1.0 P P6 1 0.25000000 0.71587900 0.45732600 1.0 P P7 1 0.25000000 0.78412100 0.95732600 1.0 P P8 1 0.25000000 0.24333600 0.82808100 1.0 P P9 1 0.25000000 0.25666400 0.32808100 1.0 P P10 1 0.75000000 0.75666400 0.17191900 1.0 P P11 1 0.75000000 0.74333600 0.67191900 1.0 O O12 1 0.98421600 0.32498200 0.59796400 1.0 O O13 1 0.51578400 0.17501800 0.09796400 1.0 O O14 1 0.48421600 0.67501800 0.40203600 1.0 O O15 1 0.01578400 0.82498200 0.90203600 1.0 O O16 1 0.01578400 0.67501800 0.40203600 1.0 O O17 1 0.48421600 0.82498200 0.90203600 1.0 O O18 1 0.51578400 0.32498200 0.59796400 1.0 O O19 1 0.98421600 0.17501800 0.09796400 1.0 O O20 1 0.25000000 0.59289200 0.53247700 1.0 O O21 1 0.25000000 0.90710800 0.03247700 1.0 O O22 1 0.75000000 0.40710800 0.46752300 1.0 O O23 1 0.75000000 0.09289200 0.96752300 1.0 O O24 1 0.75000000 0.10693700 0.50980100 1.0 O O25 1 0.75000000 0.39306300 0.00980100 1.0 O O26 1 0.25000000 0.89306300 0.49019900 1.0 O O27 1 0.25000000 0.60693700 0.99019900 1.0 O O28 1 0.25000000 0.35817300 0.74938800 1.0 O O29 1 0.25000000 0.14182700 0.24938800 1.0 O O30 1 0.75000000 0.64182700 0.25061200 1.0 O O31 1 0.75000000 0.85817300 0.75061200 1.0 O O32 1 0.98604300 0.62839900 0.68205300 1.0 O O33 1 0.51395700 0.87160100 0.18205300 1.0 O O34 1 0.48604300 0.37160100 0.31794700 1.0 O O35 1 0.01395700 0.12839900 0.81794700 1.0 O O36 1 0.01395700 0.37160100 0.31794700 1.0 O O37 1 0.48604300 0.12839900 0.81794700 1.0 O O38 1 0.51395700 0.62839900 0.68205300 1.0 O O39 1 0.98604300 0.87160100 0.18205300 1.0 O O40 1 0.25000000 0.33324800 0.91044100 1.0 O O41 1 0.25000000 0.16675200 0.41044100 1.0 O O42 1 0.75000000 0.66675200 0.08955900 1.0 O O43 1 0.75000000 0.83324800 0.58955900 1.0