# generated using pymatgen data_TiMn7(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48697500 _cell_length_b 8.49955062 _cell_length_c 11.82520759 _cell_angle_alpha 90.04470136 _cell_angle_beta 90.05260945 _cell_angle_gamma 90.02184096 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMn7(PO4)12 _chemical_formula_sum 'Ti1 Mn7 P12 O48' _cell_volume 853.01626833 _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 Ti Ti0 1 0.46587300 0.75019900 0.37712000 1.0 Mn Mn1 1 0.96585300 0.24987700 0.38253400 1.0 Mn Mn2 1 0.53558300 0.25037000 0.61853500 1.0 Mn Mn3 1 0.03502200 0.24970000 0.88226700 1.0 Mn Mn4 1 0.46614700 0.24934100 0.11753300 1.0 Mn Mn5 1 0.53525300 0.75060800 0.88121800 1.0 Mn Mn6 1 0.96478400 0.75071400 0.11718800 1.0 Mn Mn7 1 0.03483500 0.74978100 0.61823700 1.0 P P8 1 0.24772000 0.03947700 0.50208000 1.0 P P9 1 0.75022500 0.46459000 0.99962200 1.0 P P10 1 0.25017600 0.53606100 0.00024100 1.0 P P11 1 0.75408300 0.96617800 0.50158400 1.0 P P12 1 0.39153000 0.10685100 0.85471800 1.0 P P13 1 0.10906900 0.10674500 0.14483600 1.0 P P14 1 0.61035900 0.38801800 0.35456200 1.0 P P15 1 0.89195000 0.39344900 0.64521900 1.0 P P16 1 0.10201800 0.60642300 0.35378200 1.0 P P17 1 0.39073500 0.60489900 0.64652300 1.0 P P18 1 0.60995200 0.89599900 0.14038600 1.0 P P19 1 0.89176100 0.89299700 0.85446900 1.0 O O20 1 0.64535100 0.06266300 0.57874100 1.0 O O21 1 0.86183900 0.06139200 0.42397200 1.0 O O22 1 0.90121800 0.07431600 0.84127800 1.0 O O23 1 0.60309900 0.07675400 0.15377900 1.0 O O24 1 0.15820000 0.14921400 0.42061400 1.0 O O25 1 0.34089300 0.14756100 0.58288100 1.0 O O26 1 0.43823200 0.15990800 0.97301700 1.0 O O27 1 0.06110400 0.15964400 0.02664700 1.0 O O28 1 0.22131500 0.15118800 0.82441500 1.0 O O29 1 0.27935200 0.15080000 0.17507800 1.0 O O30 1 0.51354700 0.17888900 0.77238200 1.0 O O31 1 0.98815600 0.17786300 0.22816100 1.0 O O32 1 0.01303500 0.32099800 0.72804700 1.0 O O33 1 0.48885300 0.31496900 0.27248600 1.0 O O34 1 0.77990500 0.34279300 0.32451800 1.0 O O35 1 0.72188400 0.34911400 0.67598400 1.0 O O36 1 0.56250000 0.33688000 0.47331900 1.0 O O37 1 0.93883400 0.34065900 0.52682600 1.0 O O38 1 0.84123300 0.35429800 0.91888500 1.0 O O39 1 0.65831500 0.35639800 0.08080700 1.0 O O40 1 0.09419400 0.42540400 0.34066500 1.0 O O41 1 0.40172300 0.42378400 0.66115400 1.0 O O42 1 0.14170700 0.43974300 0.92280100 1.0 O O43 1 0.35801400 0.43938600 0.07747200 1.0 O O44 1 0.64178400 0.56080400 0.92246700 1.0 O O45 1 0.85934900 0.56079800 0.07635400 1.0 O O46 1 0.59701800 0.56813400 0.34232400 1.0 O O47 1 0.90118900 0.57472400 0.65878200 1.0 O O48 1 0.34164500 0.64596700 0.91977400 1.0 O O49 1 0.15852800 0.64559800 0.08116900 1.0 O O50 1 0.05672000 0.65949700 0.47283000 1.0 O O51 1 0.43796100 0.65977800 0.52866700 1.0 O O52 1 0.22058700 0.65029300 0.67623000 1.0 O O53 1 0.27255700 0.65169800 0.32605700 1.0 O O54 1 0.51193800 0.67648900 0.72952700 1.0 O O55 1 0.98070500 0.67894500 0.27145900 1.0 O O56 1 0.01371200 0.82024100 0.77256900 1.0 O O57 1 0.49219500 0.82325100 0.22451100 1.0 O O58 1 0.72222100 0.84748900 0.82300200 1.0 O O59 1 0.77927400 0.85006000 0.17241900 1.0 O O60 1 0.56437500 0.84234400 0.02219500 1.0 O O61 1 0.93963100 0.84033600 0.97268400 1.0 O O62 1 0.65694000 0.85864800 0.42323700 1.0 O O63 1 0.84308400 0.85659900 0.58332000 1.0 O O64 1 0.09866700 0.92538000 0.15857600 1.0 O O65 1 0.40184800 0.92570400 0.84003800 1.0 O O66 1 0.13926200 0.94222800 0.57869000 1.0 O O67 1 0.35337900 0.93809500 0.42654000 1.0