# generated using pymatgen data_MgV3P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40128000 _cell_length_b 7.67739200 _cell_length_c 10.10082611 _cell_angle_alpha 79.85068093 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgV3P3O13 _chemical_formula_sum 'Mg2 V6 P6 O26' _cell_volume 488.63863506 _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 Mg Mg0 1 0.75000000 0.37361000 0.18455300 1.0 Mg Mg1 1 0.25000000 0.62639000 0.81544700 1.0 V V2 1 0.25000000 0.64182700 0.20028000 1.0 V V3 1 0.75000000 0.35817300 0.79972000 1.0 V V4 1 0.25000000 0.21877500 0.43318300 1.0 V V5 1 0.50000000 0.00000000 0.00000000 1.0 V V6 1 0.75000000 0.78122500 0.56681700 1.0 V V7 1 0.00000000 0.00000000 0.00000000 1.0 P P8 1 0.25000000 0.78442800 0.49826800 1.0 P P9 1 0.75000000 0.21557200 0.50173200 1.0 P P10 1 0.25000000 0.27190700 0.76261500 1.0 P P11 1 0.75000000 0.72809300 0.23738500 1.0 P P12 1 0.75000000 0.67949200 0.89074200 1.0 P P13 1 0.25000000 0.32050800 0.10925800 1.0 O O14 1 0.75000000 0.63131900 0.74649200 1.0 O O15 1 0.56382500 0.25134100 0.40223500 1.0 O O16 1 0.25000000 0.22712800 0.62256600 1.0 O O17 1 0.54522900 0.78290500 0.90374700 1.0 O O18 1 0.75000000 0.34018500 0.60511500 1.0 O O19 1 0.75000000 0.11989000 0.90717800 1.0 O O20 1 0.25000000 0.65981500 0.39488500 1.0 O O21 1 0.04522900 0.21709500 0.09625300 1.0 O O22 1 0.25000000 0.97643500 0.41816100 1.0 O O23 1 0.75000000 0.02356500 0.58183900 1.0 O O24 1 0.06393600 0.39202100 0.78911500 1.0 O O25 1 0.25000000 0.88011000 0.09282200 1.0 O O26 1 0.56393600 0.60797900 0.21088500 1.0 O O27 1 0.75000000 0.48929200 0.97627800 1.0 O O28 1 0.75000000 0.77287200 0.37743400 1.0 O O29 1 0.45477100 0.21709500 0.09625300 1.0 O O30 1 0.93617500 0.25134100 0.40223500 1.0 O O31 1 0.43617500 0.74865900 0.59776500 1.0 O O32 1 0.43606400 0.39202100 0.78911500 1.0 O O33 1 0.25000000 0.36868100 0.25350800 1.0 O O34 1 0.75000000 0.90269200 0.13282400 1.0 O O35 1 0.25000000 0.09730800 0.86717600 1.0 O O36 1 0.93606400 0.60797900 0.21088500 1.0 O O37 1 0.95477100 0.78290500 0.90374700 1.0 O O38 1 0.06382500 0.74865900 0.59776500 1.0 O O39 1 0.25000000 0.51070800 0.02372200 1.0