# generated using pymatgen data_Ca10Pr4Cu24O41 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55034315 _cell_length_b 8.55034301 _cell_length_c 27.96809868 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.45560084 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca10Pr4Cu24O41 _chemical_formula_sum 'Ca20 Pr8 Cu48 O82' _cell_volume 2027.41551324 _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 0.37414987 0.13260455 0.71353558 1.0 Ca Ca1 1 0.14081462 0.37595620 0.50000000 1.0 Ca Ca2 1 0.37396012 0.12608040 0.56963911 1.0 Ca Ca3 1 0.85918538 0.62404380 0.50000000 1.0 Ca Ca4 1 0.12608040 0.37396012 0.93036089 1.0 Ca Ca5 1 0.86739545 0.62585013 0.21353558 1.0 Ca Ca6 1 0.37595620 0.14081462 0.00000000 1.0 Ca Ca7 1 0.37414987 0.13260455 0.28646442 1.0 Ca Ca8 1 0.62404380 0.85918538 0.00000000 1.0 Ca Ca9 1 0.62603988 0.87391960 0.43036089 1.0 Ca Ca10 1 0.62585013 0.86739545 0.28646442 1.0 Ca Ca11 1 0.87391960 0.62603988 0.93036089 1.0 Ca Ca12 1 0.62603988 0.87391960 0.56963911 1.0 Ca Ca13 1 0.12608040 0.37396012 0.06963911 1.0 Ca Ca14 1 0.13260455 0.37414987 0.21353558 1.0 Ca Ca15 1 0.86739545 0.62585013 0.78646442 1.0 Ca Ca16 1 0.62585013 0.86739545 0.71353558 1.0 Ca Ca17 1 0.37396012 0.12608040 0.43036089 1.0 Ca Ca18 1 0.87391960 0.62603988 0.06963911 1.0 Ca Ca19 1 0.13260455 0.37414987 0.78646442 1.0 Pr Pr20 1 0.13050535 0.36053576 0.35717657 1.0 Pr Pr21 1 0.36053576 0.13050535 0.85717657 1.0 Pr Pr22 1 0.86949465 0.63946424 0.35717657 1.0 Pr Pr23 1 0.63946424 0.86949465 0.14282343 1.0 Pr Pr24 1 0.36053576 0.13050535 0.14282343 1.0 Pr Pr25 1 0.63946424 0.86949465 0.85717657 1.0 Pr Pr26 1 0.86949465 0.63946424 0.64282343 1.0 Pr Pr27 1 0.13050535 0.36053576 0.64282343 1.0 Cu Cu28 1 0.66909179 0.16877636 0.21485821 1.0 Cu Cu29 1 0.66909179 0.16877636 0.78514179 1.0 Cu Cu30 1 0.50000000 0.50000000 0.90014400 1.0 Cu Cu31 1 0.67204856 0.16391733 0.50000000 1.0 Cu Cu32 1 0.50000000 0.50000000 0.79959298 1.0 Cu Cu33 1 0.32795144 0.83608267 0.50000000 1.0 Cu Cu34 1 0.00000000 0.00000000 0.54952874 1.0 Cu Cu35 1 0.16877636 0.66909179 0.28514179 1.0 Cu Cu36 1 0.00000000 0.00000000 0.84963145 1.0 Cu Cu37 1 0.83122364 0.33090821 0.28514179 1.0 Cu Cu38 1 0.00000000 0.00000000 0.65036855 1.0 Cu Cu39 1 0.16894716 0.66704950 0.57013656 1.0 Cu Cu40 1 0.33090821 0.83122364 0.21485821 1.0 Cu Cu41 1 0.50000000 0.50000000 0.70040702 1.0 Cu Cu42 1 0.83426026 0.33578603 0.85709204 1.0 Cu Cu43 1 0.83122364 0.33090821 0.71485821 1.0 Cu Cu44 1 0.50000000 0.50000000 0.59985600 1.0 Cu Cu45 1 0.00000000 0.00000000 0.75000000 1.0 Cu Cu46 1 0.00000000 0.00000000 0.15036855 1.0 Cu Cu47 1 0.83105284 0.33295050 0.42986344 1.0 Cu Cu48 1 0.50000000 0.50000000 0.09985600 1.0 Cu Cu49 1 0.33295050 0.83105284 0.07013656 1.0 Cu Cu50 1 0.66704950 0.16894716 0.92986344 1.0 Cu Cu51 1 0.33295050 0.83105284 0.92986344 1.0 Cu Cu52 1 0.33090821 0.83122364 0.78514179 1.0 Cu Cu53 1 0.16391733 0.67204856 0.00000000 1.0 Cu Cu54 1 0.66704950 0.16894716 0.07013656 1.0 Cu Cu55 1 0.00000000 0.00000000 0.34963145 1.0 Cu Cu56 1 0.16573974 0.66421397 0.85709204 1.0 Cu Cu57 1 0.50000000 0.50000000 0.29959298 1.0 Cu Cu58 1 0.83426026 0.33578603 0.14290796 1.0 Cu Cu59 1 0.33578603 0.83426026 0.64290796 1.0 Cu Cu60 1 0.50000000 0.50000000 0.20040702 1.0 Cu Cu61 1 0.00000000 0.00000000 0.45047126 1.0 Cu Cu62 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu63 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu64 1 0.66421397 0.16573974 0.35709204 1.0 Cu Cu65 1 0.50000000 0.50000000 0.40014400 1.0 Cu Cu66 1 0.16894716 0.66704950 0.42986344 1.0 Cu Cu67 1 0.66421397 0.16573974 0.64290796 1.0 Cu Cu68 1 0.83608267 0.32795144 0.00000000 1.0 Cu Cu69 1 0.16877636 0.66909179 0.71485821 1.0 Cu Cu70 1 0.83105284 0.33295050 0.57013656 1.0 Cu Cu71 1 0.00000000 0.00000000 0.25000000 1.0 Cu Cu72 1 0.00000000 0.00000000 0.95047126 1.0 Cu Cu73 1 0.33578603 0.83426026 0.35709204 1.0 Cu Cu74 1 0.00000000 0.00000000 0.04952874 1.0 Cu Cu75 1 0.16573974 0.66421397 0.14290796 1.0 O O76 1 0.33696650 0.84136303 0.28576467 1.0 O O77 1 0.33838134 0.82740277 0.14222472 1.0 O O78 1 0.36267797 0.40328042 0.15134103 1.0 O O79 1 0.33590609 0.83691937 0.42841006 1.0 O O80 1 0.50000000 0.00000000 0.64177044 1.0 O O81 1 0.15863697 0.66303350 0.78576467 1.0 O O82 1 0.66303350 0.15863697 0.71423533 1.0 O O83 1 0.89598084 0.85986429 0.30069702 1.0 O O84 1 0.16308063 0.66409391 0.07158994 1.0 O O85 1 0.10235130 0.13030610 0.00000000 1.0 O O86 1 0.50000000 0.00000000 0.35822956 1.0 O O87 1 0.66433333 0.15783689 0.00000000 1.0 O O88 1 0.11464206 0.12185183 0.59857659 1.0 O O89 1 0.40328042 0.36267797 0.65134103 1.0 O O90 1 0.66303350 0.15863697 0.28576467 1.0 O O91 1 0.00000000 0.50000000 0.70937748 1.0 O O92 1 0.16308063 0.66409391 0.92841006 1.0 O O93 1 0.61702459 0.61702459 0.75000000 1.0 O O94 1 0.33566667 0.84216311 0.00000000 1.0 O O95 1 0.00000000 0.50000000 0.29062252 1.0 O O96 1 0.39311635 0.37004302 0.95046048 1.0 O O97 1 0.37004302 0.39311635 0.54953952 1.0 O O98 1 0.87814817 0.88535794 0.09857659 1.0 O O99 1 0.88535794 0.87814817 0.40142341 1.0 O O100 1 0.85986429 0.89598084 0.80069702 1.0 O O101 1 0.38297541 0.38297541 0.75000000 1.0 O O102 1 0.83691937 0.33590609 0.92841006 1.0 O O103 1 0.50000000 0.00000000 0.79062252 1.0 O O104 1 0.00000000 0.50000000 0.42460671 1.0 O O105 1 0.17259723 0.66161866 0.64222472 1.0 O O106 1 0.12185183 0.11464206 0.90142341 1.0 O O107 1 0.84216311 0.33566667 0.50000000 1.0 O O108 1 0.50000000 0.00000000 0.50000000 1.0 O O109 1 0.59671958 0.63732203 0.34865897 1.0 O O110 1 0.83691937 0.33590609 0.07158994 1.0 O O111 1 0.85986429 0.89598084 0.19930298 1.0 O O112 1 0.17259723 0.66161866 0.35777528 1.0 O O113 1 0.66409391 0.16308063 0.42841006 1.0 O O114 1 0.00000000 0.50000000 0.85822956 1.0 O O115 1 0.00000000 0.50000000 0.14177044 1.0 O O116 1 0.39311635 0.37004302 0.04953952 1.0 O O117 1 0.33696650 0.84136303 0.71423533 1.0 O O118 1 0.84136303 0.33696650 0.78576467 1.0 O O119 1 0.66161866 0.17259723 0.14222472 1.0 O O120 1 0.12185183 0.11464206 0.09857659 1.0 O O121 1 0.00000000 0.50000000 0.57539329 1.0 O O122 1 0.84136303 0.33696650 0.21423533 1.0 O O123 1 0.88535794 0.87814817 0.59857659 1.0 O O124 1 0.60688365 0.62995698 0.95046048 1.0 O O125 1 0.15783689 0.66433333 0.50000000 1.0 O O126 1 0.60688365 0.62995698 0.04953952 1.0 O O127 1 0.63732203 0.59671958 0.15134103 1.0 O O128 1 0.89764870 0.86969390 0.00000000 1.0 O O129 1 0.37004302 0.39311635 0.45046048 1.0 O O130 1 0.13030610 0.10235130 0.50000000 1.0 O O131 1 0.00000000 0.50000000 0.00000000 1.0 O O132 1 0.40328042 0.36267797 0.34865897 1.0 O O133 1 0.50000000 0.00000000 0.92460671 1.0 O O134 1 0.33590609 0.83691937 0.57158994 1.0 O O135 1 0.87814817 0.88535794 0.90142341 1.0 O O136 1 0.10401916 0.14013571 0.69930298 1.0 O O137 1 0.59671958 0.63732203 0.65134103 1.0 O O138 1 0.50000000 0.00000000 0.20937748 1.0 O O139 1 0.33838134 0.82740277 0.85777528 1.0 O O140 1 0.66161866 0.17259723 0.85777528 1.0 O O141 1 0.11464206 0.12185183 0.40142341 1.0 O O142 1 0.14013571 0.10401916 0.80069702 1.0 O O143 1 0.15863697 0.66303350 0.21423533 1.0 O O144 1 0.89598084 0.85986429 0.69930298 1.0 O O145 1 0.38297541 0.38297541 0.25000000 1.0 O O146 1 0.63732203 0.59671958 0.84865897 1.0 O O147 1 0.82740277 0.33838134 0.64222472 1.0 O O148 1 0.36267797 0.40328042 0.84865897 1.0 O O149 1 0.86969390 0.89764870 0.50000000 1.0 O O150 1 0.50000000 0.00000000 0.07539329 1.0 O O151 1 0.14013571 0.10401916 0.19930298 1.0 O O152 1 0.10401916 0.14013571 0.30069702 1.0 O O153 1 0.61702459 0.61702459 0.25000000 1.0 O O154 1 0.62995698 0.60688365 0.54953952 1.0 O O155 1 0.66409391 0.16308063 0.57158994 1.0 O O156 1 0.62995698 0.60688365 0.45046048 1.0 O O157 1 0.82740277 0.33838134 0.35777528 1.0