# generated using pymatgen data_ScPaV12P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.00509992 _cell_length_b 10.00509994 _cell_length_c 3.29846400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000644 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPaV12P7 _chemical_formula_sum 'Sc1 Pa1 V12 P7' _cell_volume 285.94678177 _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 Sc Sc0 1 0.00000000 0.00000000 0.00000000 1.0 Pa Pa1 1 0.66666700 0.33333300 0.50000000 1.0 V V2 1 0.38344701 0.28063057 0.00000000 1.0 V V3 1 0.89718256 0.61655299 0.00000000 1.0 V V4 1 0.71936943 0.10281744 0.00000000 1.0 V V5 1 0.61001921 0.78156600 0.00000000 1.0 V V6 1 0.17154879 0.38998079 0.00000000 1.0 V V7 1 0.21843400 0.82845121 0.00000000 1.0 V V8 1 0.76491440 0.71658300 0.50000000 1.0 V V9 1 0.95166960 0.23508560 0.50000000 1.0 V V10 1 0.28341700 0.04833040 0.50000000 1.0 V V11 1 0.41457146 0.53740945 0.50000000 1.0 V V12 1 0.12283899 0.58542854 0.50000000 1.0 V V13 1 0.46259055 0.87716101 0.50000000 1.0 P P14 1 0.60927667 0.53525907 0.00000000 1.0 P P15 1 0.92598239 0.39072333 0.00000000 1.0 P P16 1 0.46474093 0.07401761 0.00000000 1.0 P P17 1 0.76601814 0.96268521 0.50000000 1.0 P P18 1 0.19666707 0.23398186 0.50000000 1.0 P P19 1 0.03731479 0.80333293 0.50000000 1.0 P P20 1 0.33333300 0.66666700 0.00000000 1.0