# generated using pymatgen data_Ca21(Mn2Sb9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.15947672 _cell_length_b 12.15947672 _cell_length_c 16.85025882 _cell_angle_alpha 88.08668043 _cell_angle_beta 88.08668043 _cell_angle_gamma 90.14561100 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca21(Mn2Sb9)2 _chemical_formula_sum 'Ca42 Mn8 Sb36' _cell_volume 2488.56534059 _cell_formula_units_Z 2 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 0.57755900 0.08900000 0.24040700 1.0 Ca Ca1 1 0.91100000 0.42244100 0.25959300 1.0 Ca Ca2 1 0.42244100 0.91100000 0.75959300 1.0 Ca Ca3 1 0.08900000 0.57755900 0.74040700 1.0 Ca Ca4 1 0.48779500 0.31652500 0.06420100 1.0 Ca Ca5 1 0.68347500 0.51220500 0.43579900 1.0 Ca Ca6 1 0.51220500 0.68347500 0.93579900 1.0 Ca Ca7 1 0.31652500 0.48779500 0.56420100 1.0 Ca Ca8 1 0.26347000 0.74778100 0.42219900 1.0 Ca Ca9 1 0.25221900 0.73653000 0.07780100 1.0 Ca Ca10 1 0.73653000 0.25221900 0.57780100 1.0 Ca Ca11 1 0.74778100 0.26347000 0.92219900 1.0 Ca Ca12 1 0.23024800 0.40571400 0.15612500 1.0 Ca Ca13 1 0.59428600 0.76975200 0.34387500 1.0 Ca Ca14 1 0.76975200 0.59428600 0.84387500 1.0 Ca Ca15 1 0.40571400 0.23024800 0.65612500 1.0 Ca Ca16 1 0.18908100 0.42321300 0.37762800 1.0 Ca Ca17 1 0.57678700 0.81091900 0.12237200 1.0 Ca Ca18 1 0.81091900 0.57678700 0.62237200 1.0 Ca Ca19 1 0.42321300 0.18908100 0.87762800 1.0 Ca Ca20 1 0.25780900 0.08020200 0.34098900 1.0 Ca Ca21 1 0.91979800 0.74219100 0.15901100 1.0 Ca Ca22 1 0.74219100 0.91979800 0.65901100 1.0 Ca Ca23 1 0.08020200 0.25780900 0.84098900 1.0 Ca Ca24 1 0.06058800 0.31522800 0.61846600 1.0 Ca Ca25 1 0.68477200 0.93941200 0.88153400 1.0 Ca Ca26 1 0.93941200 0.68477200 0.38153400 1.0 Ca Ca27 1 0.31522800 0.06058800 0.11846600 1.0 Ca Ca28 1 0.48080200 0.24237000 0.43284500 1.0 Ca Ca29 1 0.75763000 0.51919800 0.06715500 1.0 Ca Ca30 1 0.51919800 0.75763000 0.56715500 1.0 Ca Ca31 1 0.24237000 0.48080200 0.93284500 1.0 Ca Ca32 1 0.26588100 0.99834100 0.56277700 1.0 Ca Ca33 1 0.00165900 0.73411900 0.93722300 1.0 Ca Ca34 1 0.73411900 0.00165900 0.43722300 1.0 Ca Ca35 1 0.99834100 0.26588100 0.06277700 1.0 Ca Ca36 1 0.99526900 0.17663800 0.42906900 1.0 Ca Ca37 1 0.82336200 0.00473100 0.07093100 1.0 Ca Ca38 1 0.00473100 0.82336200 0.57093100 1.0 Ca Ca39 1 0.17663800 0.99526900 0.92906900 1.0 Ca Ca40 1 0.57229100 0.42770900 0.25000000 1.0 Ca Ca41 1 0.42770900 0.57229100 0.75000000 1.0 Mn Mn42 1 0.35996500 0.64003500 0.25000000 1.0 Mn Mn43 1 0.64003500 0.35996500 0.75000000 1.0 Mn Mn44 1 0.15759500 0.84240500 0.25000000 1.0 Mn Mn45 1 0.84240500 0.15759500 0.75000000 1.0 Mn Mn46 1 0.99885500 0.00114500 0.25000000 1.0 Mn Mn47 1 0.00114500 0.99885500 0.75000000 1.0 Mn Mn48 1 0.83841600 0.16158400 0.25000000 1.0 Mn Mn49 1 0.16158400 0.83841600 0.75000000 1.0 Sb Sb50 1 0.43327200 0.55354900 0.39368100 1.0 Sb Sb51 1 0.44645100 0.56672800 0.10631900 1.0 Sb Sb52 1 0.56672800 0.44645100 0.60631900 1.0 Sb Sb53 1 0.55354900 0.43327200 0.89368100 1.0 Sb Sb54 1 0.38255900 0.86909900 0.24308900 1.0 Sb Sb55 1 0.13090100 0.61744100 0.25691100 1.0 Sb Sb56 1 0.61744100 0.13090100 0.75691100 1.0 Sb Sb57 1 0.86909900 0.38255900 0.74308900 1.0 Sb Sb58 1 0.06840200 0.91934800 0.39742500 1.0 Sb Sb59 1 0.08065200 0.93159800 0.10257500 1.0 Sb Sb60 1 0.93159800 0.08065200 0.60257500 1.0 Sb Sb61 1 0.91934800 0.06840200 0.89742500 1.0 Sb Sb62 1 0.06684600 0.21910800 0.24692400 1.0 Sb Sb63 1 0.78089200 0.93315400 0.25307600 1.0 Sb Sb64 1 0.93315400 0.78089200 0.75307600 1.0 Sb Sb65 1 0.21910800 0.06684600 0.74692400 1.0 Sb Sb66 1 0.72918400 0.25375500 0.37555000 1.0 Sb Sb67 1 0.74624500 0.27081600 0.12445000 1.0 Sb Sb68 1 0.27081600 0.74624500 0.62445000 1.0 Sb Sb69 1 0.25375500 0.72918400 0.87555000 1.0 Sb Sb70 1 0.57553700 0.07708700 0.03578700 1.0 Sb Sb71 1 0.92291300 0.42446300 0.46421300 1.0 Sb Sb72 1 0.42446300 0.92291300 0.96421300 1.0 Sb Sb73 1 0.07708700 0.57553700 0.53578700 1.0 Sb Sb74 1 0.46178700 0.96063000 0.42322700 1.0 Sb Sb75 1 0.03937000 0.53821300 0.07677300 1.0 Sb Sb76 1 0.53821300 0.03937000 0.57677300 1.0 Sb Sb77 1 0.96063000 0.46178700 0.92322700 1.0 Sb Sb78 1 0.24269100 0.23977200 0.50002800 1.0 Sb Sb79 1 0.76022800 0.75730900 0.99997200 1.0 Sb Sb80 1 0.75730900 0.76022800 0.49997200 1.0 Sb Sb81 1 0.23977200 0.24269100 0.00002800 1.0 Sb Sb82 1 0.74484300 0.60957100 0.25384700 1.0 Sb Sb83 1 0.39042900 0.25515700 0.24615300 1.0 Sb Sb84 1 0.25515700 0.39042900 0.74615300 1.0 Sb Sb85 1 0.60957100 0.74484300 0.75384700 1.0