# generated using pymatgen data_Mn2V3NiO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16374663 _cell_length_b 6.06229255 _cell_length_c 10.60291151 _cell_angle_alpha 107.64661013 _cell_angle_beta 106.45780429 _cell_angle_gamma 59.84674367 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2V3NiO8 _chemical_formula_sum 'Mn4 V6 Ni2 O16' _cell_volume 322.30739955 _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 Mn Mn0 1 0.11909700 0.12332900 0.37273600 1.0 Mn Mn1 1 0.61859000 0.62307400 0.87227800 1.0 Mn Mn2 1 0.00576700 0.00223900 0.00276400 1.0 Mn Mn3 1 0.50684100 0.50230800 0.50307800 1.0 V V4 1 0.56250600 0.06231700 0.68752200 1.0 V V5 1 0.06231900 0.56262200 0.68744700 1.0 V V6 1 0.06267800 0.06221200 0.68745700 1.0 V V7 1 0.06252900 0.56256900 0.18748100 1.0 V V8 1 0.56232700 0.06265700 0.18742200 1.0 V V9 1 0.56244500 0.56231500 0.18743500 1.0 Ni Ni10 1 0.81224000 0.81289200 0.43746300 1.0 Ni Ni11 1 0.31270300 0.31192300 0.93720000 1.0 O O12 1 0.43694000 0.43711700 0.29543100 1.0 O O13 1 0.93699500 0.93697500 0.79526200 1.0 O O14 1 0.68800400 0.68799800 0.07963200 1.0 O O15 1 0.18810100 0.18799800 0.57985200 1.0 O O16 1 0.66081600 0.22312600 0.07454700 1.0 O O17 1 0.16089600 0.72390800 0.57492400 1.0 O O18 1 0.21068100 0.66505800 0.07901200 1.0 O O19 1 0.71142100 0.16533000 0.57971400 1.0 O O20 1 0.21664200 0.20207700 0.07288000 1.0 O O21 1 0.71780000 0.70198600 0.57324500 1.0 O O22 1 0.46398200 0.90187100 0.30035000 1.0 O O23 1 0.96415500 0.40092700 0.79997200 1.0 O O24 1 0.91427900 0.45975900 0.29590000 1.0 O O25 1 0.41371900 0.95933900 0.79522800 1.0 O O26 1 0.90825900 0.92308800 0.30207500 1.0 O O27 1 0.40726700 0.42298400 0.80169300 1.0