# generated using pymatgen data_LiMn(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31467700 _cell_length_b 9.31467700 _cell_length_c 9.33275100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn(PO3)4 _chemical_formula_sum 'Li4 Mn4 P16 O48' _cell_volume 809.73941263 _cell_formula_units_Z 4 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 0.25000000 0.75000000 0.75000000 1.0 Li Li1 1 0.75000000 0.25000000 0.75000000 1.0 Li Li2 1 0.75000000 0.75000000 0.25000000 1.0 Li Li3 1 0.25000000 0.25000000 0.25000000 1.0 Mn Mn4 1 0.00000000 0.50000000 0.75000000 1.0 Mn Mn5 1 0.00000000 0.50000000 0.25000000 1.0 Mn Mn6 1 0.50000000 0.00000000 0.75000000 1.0 Mn Mn7 1 0.50000000 0.00000000 0.25000000 1.0 P P8 1 0.00000000 0.23061200 0.00000000 1.0 P P9 1 0.76938800 0.00000000 0.00000000 1.0 P P10 1 0.26938800 0.50000000 0.50000000 1.0 P P11 1 0.50000000 0.27846500 0.00000000 1.0 P P12 1 0.72153500 0.50000000 0.00000000 1.0 P P13 1 0.23061200 0.00000000 0.00000000 1.0 P P14 1 0.50000000 0.72153500 0.00000000 1.0 P P15 1 0.50000000 0.73061200 0.50000000 1.0 P P16 1 0.22153500 0.00000000 0.50000000 1.0 P P17 1 0.00000000 0.22153500 0.50000000 1.0 P P18 1 0.27846500 0.50000000 0.00000000 1.0 P P19 1 0.77846500 0.00000000 0.50000000 1.0 P P20 1 0.00000000 0.77846500 0.50000000 1.0 P P21 1 0.50000000 0.26938800 0.50000000 1.0 P P22 1 0.00000000 0.76938800 0.00000000 1.0 P P23 1 0.73061200 0.50000000 0.50000000 1.0 O O24 1 0.37944700 0.62055300 0.56354700 1.0 O O25 1 0.61428100 0.61428100 0.92685400 1.0 O O26 1 0.29966500 0.07273200 0.37908800 1.0 O O27 1 0.79966500 0.57273200 0.12091200 1.0 O O28 1 0.37944700 0.37944700 0.43645300 1.0 O O29 1 0.87944700 0.12055300 0.93645300 1.0 O O30 1 0.43770200 0.80935000 0.37459300 1.0 O O31 1 0.42726800 0.20033500 0.12091200 1.0 O O32 1 0.20033500 0.42726800 0.12091200 1.0 O O33 1 0.19065000 0.43770200 0.62540700 1.0 O O34 1 0.92726800 0.70033500 0.37908800 1.0 O O35 1 0.62055300 0.37944700 0.56354700 1.0 O O36 1 0.88571900 0.88571900 0.57314600 1.0 O O37 1 0.93770200 0.30935000 0.12540700 1.0 O O38 1 0.62055300 0.62055300 0.43645300 1.0 O O39 1 0.20033500 0.57273200 0.87908800 1.0 O O40 1 0.57273200 0.79966500 0.12091200 1.0 O O41 1 0.38571900 0.38571900 0.92685400 1.0 O O42 1 0.79966500 0.42726800 0.87908800 1.0 O O43 1 0.19065000 0.56229800 0.37459300 1.0 O O44 1 0.30935000 0.06229800 0.87459300 1.0 O O45 1 0.70033500 0.92726800 0.37908800 1.0 O O46 1 0.11428100 0.88571900 0.42685400 1.0 O O47 1 0.06229800 0.69065000 0.12540700 1.0 O O48 1 0.30935000 0.93770200 0.12540700 1.0 O O49 1 0.07273200 0.70033500 0.62091200 1.0 O O50 1 0.88571900 0.11428100 0.42685400 1.0 O O51 1 0.29966500 0.92726800 0.62091200 1.0 O O52 1 0.38571900 0.61428100 0.07314600 1.0 O O53 1 0.56229800 0.80935000 0.62540700 1.0 O O54 1 0.43770200 0.19065000 0.62540700 1.0 O O55 1 0.42726800 0.79966500 0.87908800 1.0 O O56 1 0.56229800 0.19065000 0.37459300 1.0 O O57 1 0.07273200 0.29966500 0.37908800 1.0 O O58 1 0.80935000 0.43770200 0.37459300 1.0 O O59 1 0.87944700 0.87944700 0.06354700 1.0 O O60 1 0.69065000 0.06229800 0.12540700 1.0 O O61 1 0.69065000 0.93770200 0.87459300 1.0 O O62 1 0.93770200 0.69065000 0.87459300 1.0 O O63 1 0.06229800 0.30935000 0.87459300 1.0 O O64 1 0.92726800 0.29966500 0.62091200 1.0 O O65 1 0.80935000 0.56229800 0.62540700 1.0 O O66 1 0.57273200 0.20033500 0.87908800 1.0 O O67 1 0.61428100 0.38571900 0.07314600 1.0 O O68 1 0.11428100 0.11428100 0.57314600 1.0 O O69 1 0.12055300 0.87944700 0.93645300 1.0 O O70 1 0.12055300 0.12055300 0.06354700 1.0 O O71 1 0.70033500 0.07273200 0.62091200 1.0