# generated using pymatgen data_CaMgFeP2O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.09154180 _cell_length_b 18.83697948 _cell_length_c 6.99792139 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgFeP2O13 _chemical_formula_sum 'Ca8 Mg8 Fe8 P16 O104' _cell_volume 2121.18223878 _cell_formula_units_Z 8 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 Ca Ca0 1 0.51002296 0.25162760 0.27734723 1.0 Ca Ca1 1 0.01002296 0.24837240 0.72265277 1.0 Ca Ca2 1 0.48997704 0.75162760 0.22265277 1.0 Ca Ca3 1 0.98997704 0.74837240 0.77734723 1.0 Ca Ca4 1 0.48997704 0.74837240 0.72265277 1.0 Ca Ca5 1 0.98997704 0.75162760 0.27734723 1.0 Ca Ca6 1 0.51002296 0.24837240 0.77734723 1.0 Ca Ca7 1 0.01002296 0.25162760 0.22265277 1.0 Mg Mg8 1 0.65008022 0.50565367 0.75617714 1.0 Mg Mg9 1 0.15008022 0.99434633 0.24382286 1.0 Mg Mg10 1 0.34991978 0.00565367 0.74382286 1.0 Mg Mg11 1 0.84991978 0.49434633 0.25617714 1.0 Mg Mg12 1 0.34991978 0.49434633 0.24382286 1.0 Mg Mg13 1 0.84991978 0.00565367 0.75617714 1.0 Mg Mg14 1 0.65008022 0.99434633 0.25617714 1.0 Mg Mg15 1 0.15008022 0.50565367 0.74382286 1.0 Fe Fe16 1 0.76191955 0.25051027 0.24686289 1.0 Fe Fe17 1 0.26191955 0.24948973 0.75313711 1.0 Fe Fe18 1 0.23808045 0.75051027 0.25313711 1.0 Fe Fe19 1 0.73808045 0.74948973 0.74686289 1.0 Fe Fe20 1 0.23808045 0.74948973 0.75313711 1.0 Fe Fe21 1 0.73808045 0.75051027 0.24686289 1.0 Fe Fe22 1 0.76191955 0.24948973 0.74686289 1.0 Fe Fe23 1 0.26191955 0.25051027 0.25313711 1.0 P P24 1 0.88730408 0.34895643 0.01137257 1.0 P P25 1 0.38730408 0.15104357 0.98862743 1.0 P P26 1 0.11269592 0.84895643 0.48862743 1.0 P P27 1 0.61269592 0.65104357 0.51137257 1.0 P P28 1 0.11269592 0.65104357 0.98862743 1.0 P P29 1 0.61269592 0.84895643 0.01137257 1.0 P P30 1 0.88730408 0.15104357 0.51137257 1.0 P P31 1 0.38730408 0.34895643 0.48862743 1.0 P P32 1 0.63542037 0.34653527 0.97650953 1.0 P P33 1 0.13542037 0.15346473 0.02349047 1.0 P P34 1 0.36457963 0.84653527 0.52349047 1.0 P P35 1 0.86457963 0.65346473 0.47650953 1.0 P P36 1 0.36457963 0.65346473 0.02349047 1.0 P P37 1 0.86457963 0.84653527 0.97650953 1.0 P P38 1 0.63542037 0.15346473 0.47650953 1.0 P P39 1 0.13542037 0.34653527 0.52349047 1.0 O O40 1 0.82822499 0.33387055 0.84221403 1.0 O O41 1 0.32822499 0.16612945 0.15778597 1.0 O O42 1 0.17177501 0.83387055 0.65778597 1.0 O O43 1 0.67177501 0.66612945 0.34221403 1.0 O O44 1 0.17177501 0.66612945 0.15778597 1.0 O O45 1 0.67177501 0.83387055 0.84221403 1.0 O O46 1 0.82822499 0.16612945 0.34221403 1.0 O O47 1 0.32822499 0.33387055 0.65778597 1.0 O O48 1 0.86888238 0.30063065 0.19031539 1.0 O O49 1 0.36888238 0.19936935 0.80968461 1.0 O O50 1 0.13111762 0.80063065 0.30968461 1.0 O O51 1 0.63111762 0.69936935 0.69031539 1.0 O O52 1 0.13111762 0.69936935 0.80968461 1.0 O O53 1 0.63111762 0.80063065 0.19031539 1.0 O O54 1 0.86888238 0.19936935 0.69031539 1.0 O O55 1 0.36888238 0.30063065 0.30968461 1.0 O O56 1 0.97841592 0.32924454 0.96088762 1.0 O O57 1 0.47841592 0.17075546 0.03911238 1.0 O O58 1 0.02158408 0.82924454 0.53911238 1.0 O O59 1 0.52158408 0.67075546 0.46088762 1.0 O O60 1 0.02158408 0.67075546 0.03911238 1.0 O O61 1 0.52158408 0.82924454 0.96088762 1.0 O O62 1 0.97841592 0.17075546 0.46088762 1.0 O O63 1 0.47841592 0.32924454 0.53911238 1.0 O O64 1 0.87996832 0.42760264 0.07006848 1.0 O O65 1 0.37996832 0.07239736 0.92993152 1.0 O O66 1 0.12003168 0.92760264 0.42993152 1.0 O O67 1 0.62003168 0.57239736 0.57006848 1.0 O O68 1 0.12003168 0.57239736 0.92993152 1.0 O O69 1 0.62003168 0.92760264 0.07006848 1.0 O O70 1 0.87996832 0.07239736 0.57006848 1.0 O O71 1 0.37996832 0.42760264 0.42993152 1.0 O O72 1 0.65245648 0.29505448 0.80429497 1.0 O O73 1 0.15245648 0.20494552 0.19570503 1.0 O O74 1 0.34754352 0.79505448 0.69570503 1.0 O O75 1 0.84754352 0.70494552 0.30429497 1.0 O O76 1 0.34754352 0.70494552 0.19570503 1.0 O O77 1 0.84754352 0.79505448 0.80429497 1.0 O O78 1 0.65245648 0.20494552 0.30429497 1.0 O O79 1 0.15245648 0.29505448 0.69570503 1.0 O O80 1 0.69500788 0.33466221 0.14618486 1.0 O O81 1 0.19500788 0.16533779 0.85381514 1.0 O O82 1 0.30499212 0.83466221 0.35381514 1.0 O O83 1 0.80499212 0.66533779 0.64618486 1.0 O O84 1 0.30499212 0.66533779 0.85381514 1.0 O O85 1 0.80499212 0.83466221 0.14618486 1.0 O O86 1 0.69500788 0.16533779 0.64618486 1.0 O O87 1 0.19500788 0.33466221 0.35381514 1.0 O O88 1 0.54440330 0.32837193 0.03238928 1.0 O O89 1 0.04440330 0.17162807 0.96761072 1.0 O O90 1 0.45559670 0.82837193 0.46761072 1.0 O O91 1 0.95559670 0.67162807 0.53238928 1.0 O O92 1 0.45559670 0.67162807 0.96761072 1.0 O O93 1 0.95559670 0.82837193 0.03238928 1.0 O O94 1 0.54440330 0.17162807 0.53238928 1.0 O O95 1 0.04440330 0.32837193 0.46761072 1.0 O O96 1 0.64326174 0.42375993 0.90656560 1.0 O O97 1 0.14326174 0.07624007 0.09343440 1.0 O O98 1 0.35673826 0.92375993 0.59343440 1.0 O O99 1 0.85673826 0.57624007 0.40656560 1.0 O O100 1 0.35673826 0.57624007 0.09343440 1.0 O O101 1 0.85673826 0.92375993 0.90656560 1.0 O O102 1 0.64326174 0.07624007 0.40656560 1.0 O O103 1 0.14326174 0.42375993 0.59343440 1.0 O O104 1 0.76280088 0.28849797 0.49707654 1.0 O O105 1 0.26280088 0.21150203 0.50292346 1.0 O O106 1 0.23719912 0.78849797 0.00292346 1.0 O O107 1 0.73719912 0.71150203 0.99707654 1.0 O O108 1 0.23719912 0.71150203 0.50292346 1.0 O O109 1 0.73719912 0.78849797 0.49707654 1.0 O O110 1 0.76280088 0.21150203 0.99707654 1.0 O O111 1 0.26280088 0.28849797 0.00292346 1.0 O O112 1 0.78298169 0.53636036 0.83508466 1.0 O O113 1 0.28298169 0.96363964 0.16491534 1.0 O O114 1 0.21701831 0.03636036 0.66491534 1.0 O O115 1 0.71701831 0.46363964 0.33508466 1.0 O O116 1 0.21701831 0.46363964 0.16491534 1.0 O O117 1 0.71701831 0.03636036 0.83508466 1.0 O O118 1 0.78298169 0.96363964 0.33508466 1.0 O O119 1 0.28298169 0.53636036 0.66491534 1.0 O O120 1 0.46529760 0.47447499 0.90605447 1.0 O O121 1 0.96529760 0.02552501 0.09394553 1.0 O O122 1 0.53470240 0.97447499 0.59394553 1.0 O O123 1 0.03470240 0.52552501 0.40605447 1.0 O O124 1 0.53470240 0.52552501 0.09394553 1.0 O O125 1 0.03470240 0.97447499 0.90605447 1.0 O O126 1 0.46529760 0.02552501 0.40605447 1.0 O O127 1 0.96529760 0.47447499 0.59394553 1.0 O O128 1 0.68223418 0.43732777 0.47710553 1.0 O O129 1 0.18223418 0.06267223 0.52289447 1.0 O O130 1 0.31776582 0.93732777 0.02289447 1.0 O O131 1 0.81776582 0.56267223 0.97710553 1.0 O O132 1 0.31776582 0.56267223 0.52289447 1.0 O O133 1 0.81776582 0.93732777 0.47710553 1.0 O O134 1 0.68223418 0.06267223 0.97710553 1.0 O O135 1 0.18223418 0.43732777 0.02289447 1.0 O O136 1 0.59185354 0.55801820 0.01313244 1.0 O O137 1 0.09185354 0.94198180 0.98686756 1.0 O O138 1 0.40814646 0.05801820 0.48686756 1.0 O O139 1 0.90814646 0.44198180 0.51313244 1.0 O O140 1 0.40814646 0.44198180 0.98686756 1.0 O O141 1 0.90814646 0.05801820 0.01313244 1.0 O O142 1 0.59185354 0.94198180 0.51313244 1.0 O O143 1 0.09185354 0.55801820 0.48686756 1.0