# generated using pymatgen data_NpV(SeO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.32797253 _cell_length_b 8.70768128 _cell_length_c 8.33740924 _cell_angle_alpha 89.19884524 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpV(SeO3)4 _chemical_formula_sum 'Np2 V2 Se8 O24' _cell_volume 604.54755616 _cell_formula_units_Z 2 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 Np Np0 1 0.00000000 0.00000000 0.50000000 1.0 Np Np1 1 0.50000000 0.00000000 0.00000000 1.0 V V2 1 0.00000000 0.50000000 0.00000000 1.0 V V3 1 0.50000000 0.50000000 0.50000000 1.0 Se Se4 1 0.29667928 0.65479761 0.21050240 1.0 Se Se5 1 0.79667928 0.34520239 0.28949760 1.0 Se Se6 1 0.66904278 0.78398246 0.66587664 1.0 Se Se7 1 0.16904278 0.21601754 0.83412336 1.0 Se Se8 1 0.70332072 0.34520239 0.78949760 1.0 Se Se9 1 0.20332072 0.65479761 0.71050240 1.0 Se Se10 1 0.33095722 0.21601754 0.33412336 1.0 Se Se11 1 0.83095722 0.78398246 0.16587664 1.0 O O12 1 0.22270314 0.54849988 0.05566206 1.0 O O13 1 0.72270314 0.45150012 0.44433794 1.0 O O14 1 0.75234615 0.93513164 0.56352303 1.0 O O15 1 0.25234615 0.06486836 0.93647697 1.0 O O16 1 0.52224531 0.87636332 0.76738970 1.0 O O17 1 0.44088694 0.52507719 0.27697666 1.0 O O18 1 0.94088694 0.47492281 0.22302334 1.0 O O19 1 0.02224531 0.12363668 0.73261030 1.0 O O20 1 0.91859491 0.22195776 0.39197217 1.0 O O21 1 0.55722927 0.71154533 0.50984659 1.0 O O22 1 0.41859491 0.77804224 0.10802783 1.0 O O23 1 0.05722927 0.28845467 0.99015341 1.0 O O24 1 0.77729686 0.45150012 0.94433794 1.0 O O25 1 0.27729686 0.54849988 0.55566206 1.0 O O26 1 0.24765385 0.06486836 0.43647697 1.0 O O27 1 0.74765385 0.93513164 0.06352303 1.0 O O28 1 0.47775469 0.12363668 0.23261030 1.0 O O29 1 0.55911306 0.47492281 0.72302334 1.0 O O30 1 0.05911306 0.52507719 0.77697666 1.0 O O31 1 0.97775469 0.87636332 0.26738970 1.0 O O32 1 0.08140509 0.77804224 0.60802783 1.0 O O33 1 0.44277073 0.28845467 0.49015341 1.0 O O34 1 0.58140509 0.22195776 0.89197217 1.0 O O35 1 0.94277073 0.71154533 0.00984659 1.0