# generated using pymatgen data_Li7Mn3Fe(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80718894 _cell_length_b 8.80718894 _cell_length_c 8.80718903 _cell_angle_alpha 60.83288008 _cell_angle_beta 60.83288008 _cell_angle_gamma 60.83287372 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7Mn3Fe(PO4)6 _chemical_formula_sum 'Li7 Mn3 Fe1 P6 O24' _cell_volume 492.12794929 _cell_formula_units_Z 1 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 0.64896300 0.23459200 0.81783800 1.0 Li Li1 1 0.23459200 0.81783800 0.64896300 1.0 Li Li2 1 0.22457600 0.39819600 0.72212100 1.0 Li Li3 1 0.01584800 0.01584800 0.01584800 1.0 Li Li4 1 0.81783800 0.64896300 0.23459200 1.0 Li Li5 1 0.72212100 0.22457600 0.39819600 1.0 Li Li6 1 0.39819600 0.72212100 0.22457600 1.0 Mn Mn7 1 0.85049100 0.85049100 0.85049100 1.0 Mn Mn8 1 0.35253100 0.35253100 0.35253100 1.0 Mn Mn9 1 0.64613900 0.64613900 0.64613900 1.0 Fe Fe10 1 0.14650100 0.14650100 0.14650100 1.0 P P11 1 0.24504100 0.54210000 0.96204000 1.0 P P12 1 0.96204000 0.24504100 0.54210000 1.0 P P13 1 0.54210000 0.96204000 0.24504100 1.0 P P14 1 0.44765800 0.05023400 0.74873200 1.0 P P15 1 0.05023400 0.74873200 0.44765800 1.0 P P16 1 0.74873200 0.44765800 0.05023400 1.0 O O17 1 0.12723500 0.28786400 0.50901300 1.0 O O18 1 0.50901300 0.12723500 0.28786400 1.0 O O19 1 0.28786400 0.50901300 0.12723500 1.0 O O20 1 0.07759800 0.72291700 0.94727000 1.0 O O21 1 0.40147000 0.56697300 0.77550900 1.0 O O22 1 0.20130600 0.37874200 0.98515100 1.0 O O23 1 0.94727000 0.07759800 0.72291700 1.0 O O24 1 0.77550900 0.40147000 0.56697300 1.0 O O25 1 0.56697300 0.77550900 0.40147000 1.0 O O26 1 0.60865700 0.03247200 0.79193300 1.0 O O27 1 0.25644500 0.09737900 0.89990300 1.0 O O28 1 0.03247200 0.79193300 0.60865700 1.0 O O29 1 0.98515100 0.20130600 0.37874200 1.0 O O30 1 0.72291700 0.94727000 0.07759800 1.0 O O31 1 0.37874200 0.98515100 0.20130600 1.0 O O32 1 0.44410700 0.22988600 0.57470600 1.0 O O33 1 0.22988600 0.57470600 0.44410700 1.0 O O34 1 0.09737900 0.89990300 0.25644500 1.0 O O35 1 0.79193300 0.60865700 0.03247200 1.0 O O36 1 0.57470600 0.44410700 0.22988600 1.0 O O37 1 0.89990300 0.25644500 0.09737900 1.0 O O38 1 0.71783900 0.47387700 0.88311800 1.0 O O39 1 0.47387700 0.88311800 0.71783900 1.0 O O40 1 0.88311800 0.71783900 0.47387700 1.0