# generated using pymatgen data_Li4MnCo2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97866900 _cell_length_b 5.10145765 _cell_length_c 10.61728142 _cell_angle_alpha 85.69727828 _cell_angle_beta 76.66799547 _cell_angle_gamma 71.66087789 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4MnCo2O7 _chemical_formula_sum 'Li8 Mn2 Co4 O14' _cell_volume 249.06761682 _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 0.07549300 0.49781500 0.85497400 1.0 Li Li1 1 0.64590300 0.50009500 0.71099400 1.0 Li Li2 1 0.22058200 0.50143900 0.55825300 1.0 Li Li3 1 0.78904700 0.50083200 0.42091100 1.0 Li Li4 1 0.34405200 0.50093600 0.30112200 1.0 Li Li5 1 0.92362700 0.50157900 0.14874700 1.0 Li Li6 1 0.49861500 0.49894900 0.00223800 1.0 Li Li7 1 0.28285300 0.00245100 0.42993500 1.0 Mn Mn8 1 0.00156700 0.99807400 0.99874000 1.0 Mn Mn9 1 0.14444300 0.99905100 0.71406800 1.0 Co Co10 1 0.57386200 0.99739400 0.85693600 1.0 Co Co11 1 0.71756600 0.00098200 0.56532000 1.0 Co Co12 1 0.85675300 0.00927400 0.29262100 1.0 Co Co13 1 0.43089900 0.99394200 0.15070900 1.0 O O14 1 0.75118800 0.77912200 0.99081300 1.0 O O15 1 0.31208200 0.78134300 0.85831800 1.0 O O16 1 0.88555000 0.77964900 0.72405100 1.0 O O17 1 0.44772300 0.77570400 0.58884400 1.0 O O18 1 0.00749900 0.76035000 0.42992300 1.0 O O19 1 0.60465900 0.77449700 0.27512300 1.0 O O20 1 0.16804400 0.77096000 0.12905200 1.0 O O21 1 0.39277500 0.21822800 0.72422900 1.0 O O22 1 0.96328700 0.22436900 0.58899400 1.0 O O23 1 0.55610300 0.24354800 0.43038100 1.0 O O24 1 0.10550100 0.23448900 0.27713900 1.0 O O25 1 0.70185700 0.22823800 0.12720700 1.0 O O26 1 0.26503000 0.21167200 0.99273000 1.0 O O27 1 0.83344300 0.21501800 0.85762500 1.0