# generated using pymatgen data_Ca3Pr16HoPb16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33926832 _cell_length_b 8.54954109 _cell_length_c 16.29502170 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.33015736 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Pr16HoPb16 _chemical_formula_sum 'Ca3 Pr16 Ho1 Pb16' _cell_volume 1161.76552447 _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 0.30598598 0.00135881 0.75000000 1.0 Ca Ca1 1 0.19362036 0.49962071 0.25000000 1.0 Ca Ca2 1 0.69391589 0.99662389 0.25000000 1.0 Pr Pr3 1 0.63814341 0.16083211 0.62167707 1.0 Pr Pr4 1 0.14031438 0.34009879 0.87801149 1.0 Pr Pr5 1 0.36309041 0.83706749 0.12089737 1.0 Pr Pr6 1 0.86323100 0.65875935 0.38029745 1.0 Pr Pr7 1 0.36309041 0.83706749 0.37910263 1.0 Pr Pr8 1 0.86323100 0.65875935 0.11970255 1.0 Pr Pr9 1 0.63814341 0.16083211 0.87832293 1.0 Pr Pr10 1 0.14031438 0.34009879 0.62198851 1.0 Pr Pr11 1 0.48654117 0.68340665 0.59765755 1.0 Pr Pr12 1 0.98866667 0.82146615 0.90314953 1.0 Pr Pr13 1 0.50939928 0.31337112 0.09438071 1.0 Pr Pr14 1 0.00977535 0.18222202 0.40458931 1.0 Pr Pr15 1 0.50939928 0.31337112 0.40561929 1.0 Pr Pr16 1 0.00977535 0.18222202 0.09541069 1.0 Pr Pr17 1 0.48654117 0.68340665 0.90234245 1.0 Pr Pr18 1 0.98866667 0.82146615 0.59685047 1.0 Ho Ho19 1 0.80729207 0.50147650 0.75000000 1.0 Pb Pb20 1 0.70624585 0.95784942 0.45996654 1.0 Pb Pb21 1 0.20696190 0.53767398 0.04125748 1.0 Pb Pb22 1 0.29467715 0.04280738 0.96068579 1.0 Pb Pb23 1 0.79475977 0.46476521 0.54566367 1.0 Pb Pb24 1 0.29467715 0.04280738 0.53931421 1.0 Pb Pb25 1 0.79475977 0.46476521 0.95433633 1.0 Pb Pb26 1 0.70624585 0.95784942 0.04003346 1.0 Pb Pb27 1 0.20696190 0.53767398 0.45874252 1.0 Pb Pb28 1 0.44759228 0.38822372 0.75000000 1.0 Pb Pb29 1 0.94129806 0.12229371 0.75000000 1.0 Pb Pb30 1 0.55869785 0.61070977 0.25000000 1.0 Pb Pb31 1 0.05806080 0.88712900 0.25000000 1.0 Pb Pb32 1 0.68215707 0.84653696 0.75000000 1.0 Pb Pb33 1 0.16831370 0.64857347 0.75000000 1.0 Pb Pb34 1 0.31943796 0.14384618 0.25000000 1.0 Pb Pb35 1 0.82001727 0.35296496 0.25000000 1.0