# generated using pymatgen data_V3Se2NO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18230064 _cell_length_b 7.18230064 _cell_length_c 12.01865600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000592 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Se2NO12 _chemical_formula_sum 'V6 Se4 N2 O24' _cell_volume 536.92505608 _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 V V0 1 0.33488700 0.13098000 0.71825600 1.0 V V1 1 0.86902000 0.20390700 0.71825600 1.0 V V2 1 0.79609300 0.66511300 0.71825600 1.0 V V3 1 0.66511300 0.86902000 0.21825600 1.0 V V4 1 0.13098000 0.79609300 0.21825600 1.0 V V5 1 0.20390700 0.33488700 0.21825600 1.0 Se Se6 1 0.33333300 0.66666700 0.00040800 1.0 Se Se7 1 0.66666700 0.33333300 0.50040800 1.0 Se Se8 1 0.00000000 0.00000000 0.43320600 1.0 Se Se9 1 0.00000000 0.00000000 0.93320600 1.0 N N10 1 0.33333300 0.66666700 0.52538400 1.0 N N11 1 0.66666700 0.33333300 0.02538400 1.0 O O12 1 0.41456600 0.21478300 0.56123200 1.0 O O13 1 0.78521700 0.19978300 0.56123200 1.0 O O14 1 0.80021700 0.58543400 0.56123200 1.0 O O15 1 0.58543400 0.78521700 0.06123200 1.0 O O16 1 0.21478300 0.80021700 0.06123200 1.0 O O17 1 0.19978300 0.41456600 0.06123200 1.0 O O18 1 0.25240200 0.13422700 0.87067200 1.0 O O19 1 0.86577300 0.11817600 0.87067200 1.0 O O20 1 0.88182400 0.74759800 0.87067200 1.0 O O21 1 0.74759800 0.86577300 0.37067200 1.0 O O22 1 0.13422700 0.88182400 0.37067200 1.0 O O23 1 0.11817600 0.25240200 0.37067200 1.0 O O24 1 0.12482000 0.88002500 0.68771100 1.0 O O25 1 0.11997500 0.24479500 0.68771100 1.0 O O26 1 0.75520500 0.87518000 0.68771100 1.0 O O27 1 0.87518000 0.11997500 0.18771100 1.0 O O28 1 0.88002500 0.75520500 0.18771100 1.0 O O29 1 0.24479500 0.12482000 0.18771100 1.0 O O30 1 0.54268100 0.08576400 0.74524100 1.0 O O31 1 0.91423600 0.45691700 0.74524100 1.0 O O32 1 0.54308300 0.45731900 0.74524100 1.0 O O33 1 0.45731900 0.91423600 0.24524100 1.0 O O34 1 0.08576400 0.54308300 0.24524100 1.0 O O35 1 0.45691700 0.54268100 0.24524100 1.0