# generated using pymatgen data_SrCa3(Si3Pd5)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01143838 _cell_length_b 19.63763795 _cell_length_c 7.30723503 _cell_angle_alpha 89.99127488 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa3(Si3Pd5)4 _chemical_formula_sum 'Sr1 Ca3 Si12 Pd20' _cell_volume 575.62870889 _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 Sr Sr0 1 0.75000000 0.64218907 0.12460023 1.0 Ca Ca1 1 0.25000000 0.35629681 0.87856646 1.0 Ca Ca2 1 0.25000000 0.85808735 0.62293309 1.0 Ca Ca3 1 0.75000000 0.14279300 0.37613654 1.0 Si Si4 1 0.75000000 0.74018399 0.63234691 1.0 Si Si5 1 0.25000000 0.25972881 0.36630013 1.0 Si Si6 1 0.25000000 0.76400089 0.13190972 1.0 Si Si7 1 0.75000000 0.23899116 0.86671122 1.0 Si Si8 1 0.75000000 0.92501567 0.34977603 1.0 Si Si9 1 0.25000000 0.07681138 0.65066033 1.0 Si Si10 1 0.25000000 0.57429610 0.84326517 1.0 Si Si11 1 0.75000000 0.42356130 0.15212011 1.0 Si Si12 1 0.75000000 0.91761670 0.90614341 1.0 Si Si13 1 0.25000000 0.08391880 0.09231055 1.0 Si Si14 1 0.25000000 0.58281113 0.41972889 1.0 Si Si15 1 0.75000000 0.41371062 0.59154008 1.0 Pd Pd16 1 0.75000000 0.80133403 0.33118884 1.0 Pd Pd17 1 0.25000000 0.20016191 0.66902907 1.0 Pd Pd18 1 0.25000000 0.70207555 0.82645367 1.0 Pd Pd19 1 0.75000000 0.29899942 0.16828661 1.0 Pd Pd20 1 0.75000000 0.99382803 0.62611381 1.0 Pd Pd21 1 0.25000000 0.00826328 0.37344020 1.0 Pd Pd22 1 0.25000000 0.50479444 0.12783079 1.0 Pd Pd23 1 0.75000000 0.49215109 0.87245239 1.0 Pd Pd24 1 0.75000000 0.51091411 0.38242764 1.0 Pd Pd25 1 0.25000000 0.48349630 0.62314144 1.0 Pd Pd26 1 0.25000000 0.98850017 0.87708829 1.0 Pd Pd27 1 0.75000000 0.01284213 0.12197900 1.0 Pd Pd28 1 0.75000000 0.79861738 0.93469666 1.0 Pd Pd29 1 0.25000000 0.20295045 0.06322602 1.0 Pd Pd30 1 0.25000000 0.70463194 0.43729041 1.0 Pd Pd31 1 0.75000000 0.29522240 0.56270503 1.0 Pd Pd32 1 0.75000000 0.61696638 0.64407678 1.0 Pd Pd33 1 0.25000000 0.38189650 0.35281426 1.0 Pd Pd34 1 0.25000000 0.88585030 0.14680964 1.0 Pd Pd35 1 0.75000000 0.11648942 0.85390356 1.0