# generated using pymatgen data_Er12Th8Sn13Bi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.11816727 _cell_length_b 8.17391981 _cell_length_c 15.45505902 _cell_angle_alpha 90.04488161 _cell_angle_beta 89.89692181 _cell_angle_gamma 90.01408166 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er12Th8Sn13Bi3 _chemical_formula_sum 'Er12 Th8 Sn13 Bi3' _cell_volume 1025.55318294 _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 Er Er0 1 0.35741815 0.83673693 0.87487206 1.0 Er Er1 1 0.86160488 0.65765578 0.62609168 1.0 Er Er2 1 0.63876506 0.15657735 0.37324641 1.0 Er Er3 1 0.14071505 0.34372666 0.12509217 1.0 Er Er4 1 0.65047404 0.15998929 0.12431969 1.0 Er Er5 1 0.14927692 0.34097985 0.37521790 1.0 Er Er6 1 0.35128206 0.84131542 0.62475716 1.0 Er Er7 1 0.85484228 0.65990796 0.87513748 1.0 Er Er8 1 0.18437042 0.49637195 0.75038506 1.0 Er Er9 1 0.68380009 0.00383101 0.75339273 1.0 Er Er10 1 0.81568297 0.50387719 0.24765471 1.0 Er Er11 1 0.31626244 0.99557889 0.25207621 1.0 Th Th12 1 0.51692366 0.32448240 0.90551514 1.0 Th Th13 1 0.02400347 0.18003799 0.59678445 1.0 Th Th14 1 0.47602870 0.68015695 0.40346944 1.0 Th Th15 1 0.97950909 0.81822218 0.09473125 1.0 Th Th16 1 0.48634726 0.67593706 0.09288258 1.0 Th Th17 1 0.99005199 0.82038640 0.40568660 1.0 Th Th18 1 0.50959914 0.32071225 0.59471050 1.0 Th Th19 1 0.01057851 0.18246297 0.90536814 1.0 Sn Sn20 1 0.19709512 0.54320015 0.95772368 1.0 Sn Sn21 1 0.70079281 0.95708599 0.95716645 1.0 Sn Sn22 1 0.20102390 0.54333827 0.54342576 1.0 Sn Sn23 1 0.29916635 0.04375101 0.45704879 1.0 Sn Sn24 1 0.80241514 0.45725557 0.04205651 1.0 Sn Sn25 1 0.55054924 0.62323737 0.74821280 1.0 Sn Sn26 1 0.04958314 0.87845022 0.75065552 1.0 Sn Sn27 1 0.45076420 0.37684438 0.24852574 1.0 Sn Sn28 1 0.95115804 0.12253148 0.25101473 1.0 Sn Sn29 1 0.32195553 0.14478036 0.75176921 1.0 Sn Sn30 1 0.82011394 0.35489304 0.74912002 1.0 Sn Sn31 1 0.67864514 0.85341910 0.24982655 1.0 Sn Sn32 1 0.17848872 0.64594242 0.24897685 1.0 Bi Bi33 1 0.30091218 0.04393449 0.04301227 1.0 Bi Bi34 1 0.79922462 0.45577122 0.45664141 1.0 Bi Bi35 1 0.70057476 0.95661545 0.54343038 1.0