# generated using pymatgen data_Cs3Mn4(PO3)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53006427 _cell_length_b 9.53006394 _cell_length_c 12.38089474 _cell_angle_alpha 59.02044802 _cell_angle_beta 59.02044677 _cell_angle_gamma 63.39470682 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3Mn4(PO3)12 _chemical_formula_sum 'Cs3 Mn4 P12 O36' _cell_volume 800.54070316 _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 Cs Cs0 1 0.00000000 -0.00000000 0.50000000 1.0 Cs Cs1 1 0.78693268 0.21306722 0.99999999 1.0 Cs Cs2 1 0.21306732 0.78693278 0.00000001 1.0 Mn Mn3 1 0.20501129 0.20501104 0.59105286 1.0 Mn Mn4 1 0.79498871 0.79498896 0.40894714 1.0 Mn Mn5 1 0.75073512 0.75073515 0.92540054 1.0 Mn Mn6 1 0.24926488 0.24926485 0.07459946 1.0 P P7 1 0.83488852 0.41873310 0.19954703 1.0 P P8 1 0.58126697 0.16511151 0.80045290 1.0 P P9 1 0.16511148 0.58126690 0.80045297 1.0 P P10 1 0.41873303 0.83488849 0.19954710 1.0 P P11 1 0.60562983 0.19735960 0.37155896 1.0 P P12 1 0.80264040 0.39437022 0.62844103 1.0 P P13 1 0.39437017 0.80264040 0.62844104 1.0 P P14 1 0.19735960 0.60562978 0.37155897 1.0 P P15 1 0.33120901 0.33120904 0.27238048 1.0 P P16 1 0.66879099 0.66879096 0.72761952 1.0 P P17 1 0.76388879 0.76388886 0.17290901 1.0 P P18 1 0.23611121 0.23611114 0.82709099 1.0 O O19 1 0.67643808 0.34931150 0.32787512 1.0 O O20 1 0.65068861 0.32356179 0.67212492 1.0 O O21 1 0.32356192 0.65068850 0.67212488 1.0 O O22 1 0.34931139 0.67643821 0.32787508 1.0 O O23 1 0.99440703 0.29136874 0.21145691 1.0 O O24 1 0.70863121 0.00559301 0.78854312 1.0 O O25 1 0.00559297 0.70863126 0.78854309 1.0 O O26 1 0.29136879 0.99440699 0.21145688 1.0 O O27 1 0.81553694 0.56477342 0.23798343 1.0 O O28 1 0.43522642 0.18446296 0.76201686 1.0 O O29 1 0.18446306 0.43522658 0.76201657 1.0 O O30 1 0.56477358 0.81553704 0.23798314 1.0 O O31 1 0.80289333 0.49203928 0.07276676 1.0 O O32 1 0.50796078 0.19710658 0.92723322 1.0 O O33 1 0.19710667 0.50796072 0.92723324 1.0 O O34 1 0.49203922 0.80289342 0.07276678 1.0 O O35 1 0.75352012 0.05660105 0.34128052 1.0 O O36 1 0.94339899 0.24648001 0.65871941 1.0 O O37 1 0.24647988 0.94339895 0.65871948 1.0 O O38 1 0.05660101 0.75351999 0.34128059 1.0 O O39 1 0.47177645 0.17359427 0.50832198 1.0 O O40 1 0.82640568 0.52822359 0.49167804 1.0 O O41 1 0.52822355 0.82640573 0.49167802 1.0 O O42 1 0.17359432 0.47177641 0.50832196 1.0 O O43 1 0.52224921 0.27280434 0.26099328 1.0 O O44 1 0.72719556 0.47775078 0.73900668 1.0 O O45 1 0.47775079 0.72719566 0.73900672 1.0 O O46 1 0.27280444 0.52224922 0.26099332 1.0 O O47 1 0.33842293 0.33842300 0.14722626 1.0 O O48 1 0.66157707 0.66157700 0.85277374 1.0 O O49 1 0.22771442 0.22771441 0.40763924 1.0 O O50 1 0.77228558 0.77228559 0.59236076 1.0 O O51 1 0.82833025 0.82833041 0.22193209 1.0 O O52 1 0.17166975 0.17166959 0.77806791 1.0 O O53 1 0.82339034 0.82339033 0.02258520 1.0 O O54 1 0.17660966 0.17660967 0.97741480 1.0