# generated using pymatgen data_Li2Mn3O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18898966 _cell_length_b 5.18898966 _cell_length_c 10.25069000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.09167228 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mn3O6 _chemical_formula_sum 'Li4 Mn6 O12' _cell_volume 238.80720212 _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 0.65329700 0.15329700 0.25000000 1.0 Li Li1 1 0.84670300 0.34670300 0.75000000 1.0 Li Li2 1 0.15329700 0.65329700 0.25000000 1.0 Li Li3 1 0.34670300 0.84670300 0.75000000 1.0 Mn Mn4 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn5 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn6 1 0.83642500 0.16357500 0.50000000 1.0 Mn Mn7 1 0.33642500 0.66357500 0.00000000 1.0 Mn Mn8 1 0.66357500 0.33642500 0.00000000 1.0 Mn Mn9 1 0.16357500 0.83642500 0.50000000 1.0 O O10 1 0.67342200 0.67342200 0.09203900 1.0 O O11 1 0.82657800 0.82657800 0.59203900 1.0 O O12 1 0.17342200 0.17342200 0.40796100 1.0 O O13 1 0.47794400 0.84190900 0.39266000 1.0 O O14 1 0.32657800 0.32657800 0.90796100 1.0 O O15 1 0.65809100 0.02205600 0.89266000 1.0 O O16 1 0.97794400 0.34190900 0.10734000 1.0 O O17 1 0.15809100 0.52205600 0.60734000 1.0 O O18 1 0.52205600 0.15809100 0.60734000 1.0 O O19 1 0.84190900 0.47794400 0.39266000 1.0 O O20 1 0.02205600 0.65809100 0.89266000 1.0 O O21 1 0.34190900 0.97794400 0.10734000 1.0