# generated using pymatgen data_Ca11Pr8LuSi16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54481847 _cell_length_b 7.97318665 _cell_length_c 15.21490918 _cell_angle_alpha 89.95775833 _cell_angle_beta 90.06482548 _cell_angle_gamma 89.97450286 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca11Pr8LuSi16 _chemical_formula_sum 'Ca11 Pr8 Lu1 Si16' _cell_volume 915.27089207 _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 0.31682812 0.18096841 0.62213882 1.0 Ca Ca1 1 0.68302933 0.81940539 0.37727125 1.0 Ca Ca2 1 0.64311863 0.00162213 0.75029032 1.0 Ca Ca3 1 0.18466655 0.68035469 0.37752497 1.0 Ca Ca4 1 0.81677494 0.31888511 0.87893733 1.0 Ca Ca5 1 0.81722341 0.31829372 0.62169751 1.0 Ca Ca6 1 0.85892663 0.50033368 0.25027438 1.0 Ca Ca7 1 0.35401049 0.99988754 0.25022805 1.0 Ca Ca8 1 0.31752835 0.17915845 0.88068664 1.0 Ca Ca9 1 0.18299608 0.68255347 0.12065159 1.0 Ca Ca10 1 0.14220789 0.49723596 0.75022606 1.0 Pr Pr11 1 0.03090916 0.18730084 0.39863063 1.0 Pr Pr12 1 0.53052851 0.31348114 0.39992006 1.0 Pr Pr13 1 0.46885078 0.68725306 0.90094691 1.0 Pr Pr14 1 0.46813448 0.68785927 0.60034874 1.0 Pr Pr15 1 0.96862402 0.81213062 0.59968484 1.0 Pr Pr16 1 0.96752268 0.81153612 0.89962144 1.0 Pr Pr17 1 0.53156678 0.31380697 0.10070724 1.0 Pr Pr18 1 0.02953334 0.18780886 0.09838353 1.0 Lu Lu19 1 0.68210622 0.81763962 0.12332362 1.0 Si Si20 1 0.25339066 0.87400845 0.75103689 1.0 Si Si21 1 0.47744982 0.59720028 0.24627719 1.0 Si Si22 1 0.02789356 0.08948900 0.75081041 1.0 Si Si23 1 0.52735314 0.40909677 0.75168823 1.0 Si Si24 1 0.14099894 0.47271943 0.53754625 1.0 Si Si25 1 0.96610593 0.90480539 0.24337508 1.0 Si Si26 1 0.74356132 0.12082195 0.24613805 1.0 Si Si27 1 0.85176450 0.53541888 0.03952810 1.0 Si Si28 1 0.37029977 0.97072785 0.04262453 1.0 Si Si29 1 0.13583265 0.47404588 0.96270895 1.0 Si Si30 1 0.63974136 0.02682837 0.53753363 1.0 Si Si31 1 0.35862987 0.97421291 0.46108354 1.0 Si Si32 1 0.86064673 0.52598518 0.46072182 1.0 Si Si33 1 0.75164984 0.62612105 0.75063547 1.0 Si Si34 1 0.24986630 0.37744732 0.24857022 1.0 Si Si35 1 0.64972823 0.02355521 0.96822469 1.0