# generated using pymatgen data_Li4Mn5NbO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25573416 _cell_length_b 21.28070733 _cell_length_c 5.25544947 _cell_angle_alpha 84.89527585 _cell_angle_beta 116.54291668 _cell_angle_gamma 84.88607852 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Mn5NbO12 _chemical_formula_sum 'Li8 Mn10 Nb2 O24' _cell_volume 518.25085551 _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 Li Li0 1 0.43275900 0.35450400 0.07693700 1.0 Li Li1 1 0.43242200 0.85443700 0.07675600 1.0 Li Li2 1 0.92274700 0.14550200 0.56724900 1.0 Li Li3 1 0.92331600 0.64556900 0.56767700 1.0 Li Li4 1 0.07669400 0.35449800 0.43301200 1.0 Li Li5 1 0.07597100 0.85461900 0.43132300 1.0 Li Li6 1 0.56698500 0.14551200 0.92297500 1.0 Li Li7 1 0.56866400 0.64539500 0.92407800 1.0 Mn Mn8 1 0.16479200 0.75001500 0.83511700 1.0 Mn Mn9 1 0.66548800 0.50018000 0.33443400 1.0 Mn Mn10 1 0.66567700 0.99979700 0.33453900 1.0 Mn Mn11 1 0.33434600 0.99973400 0.66610700 1.0 Mn Mn12 1 0.33398200 0.50022100 0.66567200 1.0 Mn Mn13 1 0.49984300 0.25007300 0.50011300 1.0 Mn Mn14 1 0.49939100 0.75001100 0.50067000 1.0 Mn Mn15 1 0.83594800 0.24998400 0.16419100 1.0 Mn Mn16 1 0.83702000 0.75000000 0.16303800 1.0 Mn Mn17 1 0.16388900 0.24998300 0.83620700 1.0 Nb Nb18 1 0.99981200 0.99998200 0.00008000 1.0 Nb Nb19 1 0.99993800 0.49998900 0.00019900 1.0 O O20 1 0.15641600 0.29515700 0.15670400 1.0 O O21 1 0.15743000 0.79528900 0.15688600 1.0 O O22 1 0.84316100 0.20488100 0.84344300 1.0 O O23 1 0.84317000 0.70473600 0.84263600 1.0 O O24 1 0.30489100 0.04363400 0.30530500 1.0 O O25 1 0.30429700 0.54401900 0.30457600 1.0 O O26 1 0.69479100 0.45631900 0.69516800 1.0 O O27 1 0.69551900 0.95594000 0.69578500 1.0 O O28 1 0.66280000 0.05188100 0.00222500 1.0 O O29 1 0.66285000 0.55207000 0.00229000 1.0 O O30 1 0.99780200 0.44810000 0.33721800 1.0 O O31 1 0.99778100 0.94791200 0.33722300 1.0 O O32 1 0.00204200 0.05186300 0.66319100 1.0 O O33 1 0.00163600 0.55211100 0.66301000 1.0 O O34 1 0.33685700 0.44811300 0.99794700 1.0 O O35 1 0.33706300 0.94786700 0.99843800 1.0 O O36 1 0.59219700 0.19504700 0.22611000 1.0 O O37 1 0.59291200 0.69537300 0.22635400 1.0 O O38 1 0.77371200 0.30498800 0.40758700 1.0 O O39 1 0.77380100 0.80466700 0.40714600 1.0 O O40 1 0.22577600 0.19504000 0.59247700 1.0 O O41 1 0.22815400 0.69477600 0.59213200 1.0 O O42 1 0.40731000 0.30497300 0.77396500 1.0 O O43 1 0.40794700 0.80523800 0.77181000 1.0