# generated using pymatgen data_Sc2VO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.13703537 _cell_length_b 9.13754782 _cell_length_c 9.13754561 _cell_angle_alpha 129.52026289 _cell_angle_beta 129.51991179 _cell_angle_gamma 74.17518647 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2VO5 _chemical_formula_sum 'Sc10 V5 O25' _cell_volume 442.61605409 _cell_formula_units_Z 5 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 Sc Sc0 1 0.05989091 0.55973435 0.50005190 1.0 Sc Sc1 1 0.44020382 0.94019561 0.49997526 1.0 Sc Sc2 1 0.94446054 0.69083635 0.15417227 1.0 Sc Sc3 1 0.53662662 0.79021281 0.84575398 1.0 Sc Sc4 1 0.20979352 0.05558915 0.74645178 1.0 Sc Sc5 1 0.30914668 0.46336810 0.25362566 1.0 Sc Sc6 1 0.89792550 0.20711670 0.95192579 1.0 Sc Sc7 1 0.25519934 0.94600813 0.04807815 1.0 Sc Sc8 1 0.05399826 0.10207274 0.30919334 1.0 Sc Sc9 1 0.79289618 0.74480346 0.69080618 1.0 V V10 1 0.62201200 0.31445426 0.10375625 1.0 V V11 1 0.21070643 0.51819976 0.89619273 1.0 V V12 1 0.48179079 0.37797324 0.69249189 1.0 V V13 1 0.68555114 0.78926581 0.30753342 1.0 V V14 1 0.74997407 0.24999324 0.49997620 1.0 O O15 1 0.75065968 0.59054233 0.34630530 1.0 O O16 1 0.24419023 0.40435205 0.65370126 1.0 O O17 1 0.59565329 0.24931000 0.83984529 1.0 O O18 1 0.40955131 0.75579295 0.16016273 1.0 O O19 1 0.05085675 0.49699860 0.23179327 1.0 O O20 1 0.26512971 0.81910822 0.76815111 1.0 O O21 1 0.18090258 0.94909420 0.44608861 1.0 O O22 1 0.50301912 0.73484303 0.55391413 1.0 O O23 1 0.88696895 0.27967760 0.22463104 1.0 O O24 1 0.05508522 0.66235208 0.77540373 1.0 O O25 1 0.33765748 0.11301958 0.39269624 1.0 O O26 1 0.72033837 0.94493606 0.60727349 1.0 O O27 1 0.36461006 0.36460915 -0.00000092 1.0 O O28 1 0.63539434 0.63538665 0.00000851 1.0 O O29 1 0.82562558 0.82561291 -0.00000639 1.0 O O30 1 0.17437157 0.17438386 -0.00000047 1.0 O O31 1 -0.00000249 0.00000096 0.00000062 1.0 O O32 1 0.51595609 0.06642978 0.92951938 1.0 O O33 1 0.13693012 0.58645280 0.07048705 1.0 O O34 1 0.41350090 0.48408414 0.55047871 1.0 O O35 1 0.93346718 0.86314951 0.44950518 1.0 O O36 1 0.65549893 0.39481576 0.41101550 1.0 O O37 1 0.98379517 0.24449133 0.58899506 1.0 O O38 1 0.75548903 0.34452220 0.73933972 1.0 O O39 1 0.60517505 0.01621156 0.26070705 1.0