# generated using pymatgen data_Ca11Pr9Sn7Pb9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.05388648 _cell_length_b 8.62145961 _cell_length_c 16.20206931 _cell_angle_alpha 89.97272042 _cell_angle_beta 89.96313591 _cell_angle_gamma 90.13447562 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca11Pr9Sn7Pb9 _chemical_formula_sum 'Ca11 Pr9 Sn7 Pb9' _cell_volume 1125.00758835 _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 Ca Ca0 1 0.32907730 0.83267431 0.87808185 1.0 Ca Ca1 1 0.83190005 0.66909205 0.62297320 1.0 Ca Ca2 1 0.66870732 0.16979037 0.37607116 1.0 Ca Ca3 1 0.16972091 0.33030880 0.12462361 1.0 Ca Ca4 1 0.66756385 0.17024162 0.12467774 1.0 Ca Ca5 1 0.16797504 0.33035231 0.37605389 1.0 Ca Ca6 1 0.32912480 0.83168316 0.62223400 1.0 Ca Ca7 1 0.16055139 0.49912532 0.74838694 1.0 Ca Ca8 1 0.66041245 0.00081650 0.74783996 1.0 Ca Ca9 1 0.83924602 0.49706622 0.25026571 1.0 Ca Ca10 1 0.33901710 0.00327070 0.25064109 1.0 Pr Pr11 1 0.83488822 0.67379271 0.87489734 1.0 Pr Pr12 1 0.49251841 0.30855757 0.90325537 1.0 Pr Pr13 1 0.99366080 0.18707428 0.59700331 1.0 Pr Pr14 1 0.50694055 0.68817602 0.40169514 1.0 Pr Pr15 1 0.00912571 0.81217724 0.10025274 1.0 Pr Pr16 1 0.50721024 0.68779455 0.09967733 1.0 Pr Pr17 1 0.00654120 0.81174765 0.40151945 1.0 Pr Pr18 1 0.49226853 0.31025943 0.59556197 1.0 Pr Pr19 1 0.99404922 0.18518414 0.90196751 1.0 Sn Sn20 1 0.03226718 0.89847397 0.75036941 1.0 Sn Sn21 1 0.46813920 0.40003703 0.25041554 1.0 Sn Sn22 1 0.96800481 0.10107504 0.24981466 1.0 Sn Sn23 1 0.28555304 0.14073198 0.74974551 1.0 Sn Sn24 1 0.78590281 0.35869990 0.75079281 1.0 Sn Sn25 1 0.71545943 0.85937434 0.24979506 1.0 Sn Sn26 1 0.21562850 0.64071820 0.24995301 1.0 Pb Pb27 1 0.32448167 0.03700640 0.04125103 1.0 Pb Pb28 1 0.82497988 0.46417809 0.45947705 1.0 Pb Pb29 1 0.67494365 0.96332057 0.53979804 1.0 Pb Pb30 1 0.17587899 0.53397474 0.95941849 1.0 Pb Pb31 1 0.67528417 0.96409160 0.96095742 1.0 Pb Pb32 1 0.17453102 0.53482100 0.54019422 1.0 Pb Pb33 1 0.32472484 0.03639870 0.45921340 1.0 Pb Pb34 1 0.82515075 0.46318440 0.03994339 1.0 Pb Pb35 1 0.52856992 0.60472909 0.75118265 1.0