# generated using pymatgen data_Ca12Sn8Pd3Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90546627 _cell_length_b 8.27434680 _cell_length_c 14.04510416 _cell_angle_alpha 89.95324700 _cell_angle_beta 90.06427949 _cell_angle_gamma 90.18541478 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca12Sn8Pd3Rh5 _chemical_formula_sum 'Ca12 Sn8 Pd3 Rh5' _cell_volume 686.29397559 _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 0.14472741 0.39237498 0.59349212 1.0 Ca Ca1 1 0.85479287 0.60769113 0.09521529 1.0 Ca Ca2 1 0.14962683 0.10171721 0.40488790 1.0 Ca Ca3 1 0.85407682 0.89278478 0.90525451 1.0 Ca Ca4 1 0.84245942 0.60531175 0.40213812 1.0 Ca Ca5 1 0.15766915 0.40018262 0.90125829 1.0 Ca Ca6 1 0.84349470 0.90011531 0.59521009 1.0 Ca Ca7 1 0.15785336 0.10050570 0.09882933 1.0 Ca Ca8 1 0.63246713 0.24837239 0.74904186 1.0 Ca Ca9 1 0.36643039 0.75366648 0.25263186 1.0 Ca Ca10 1 0.63184064 0.24856925 0.25312961 1.0 Ca Ca11 1 0.36474992 0.75177764 0.74737260 1.0 Sn Sn12 1 0.63150477 0.24534996 0.49721953 1.0 Sn Sn13 1 0.36806797 0.74950691 0.00017044 1.0 Sn Sn14 1 0.35483062 0.75219271 0.49912395 1.0 Sn Sn15 1 0.65359912 0.25050228 0.00070027 1.0 Sn Sn16 1 0.13744176 0.09860092 0.74837930 1.0 Sn Sn17 1 0.85706695 0.90391029 0.24831045 1.0 Sn Sn18 1 0.13949038 0.40377901 0.25282273 1.0 Sn Sn19 1 0.85712955 0.59741538 0.75210701 1.0 Pd Pd20 1 0.37291232 0.03913362 0.90867104 1.0 Pd Pd21 1 0.62661336 0.53326837 0.59084893 1.0 Pd Pd22 1 0.37460217 0.46117871 0.09219811 1.0 Rh Rh23 1 0.36733120 0.03361935 0.58981850 1.0 Rh Rh24 1 0.63137209 0.96697542 0.08754502 1.0 Rh Rh25 1 0.36870524 0.46787571 0.41241885 1.0 Rh Rh26 1 0.63035729 0.53292981 0.91224597 1.0 Rh Rh27 1 0.62878457 0.96069129 0.40896034 1.0