# generated using pymatgen data_Ca7Yb13(Bi2Sb)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.32997002 _cell_length_b 9.60258152 _cell_length_c 12.59158509 _cell_angle_alpha 90.01369660 _cell_angle_beta 90.00843025 _cell_angle_gamma 89.97152051 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca7Yb13(Bi2Sb)4 _chemical_formula_sum 'Ca7 Yb13 Bi8 Sb4' _cell_volume 1007.19085772 _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 0.30708143 0.45516889 0.42572593 1.0 Ca Ca1 1 0.80688379 0.54459203 0.07412306 1.0 Ca Ca2 1 0.69268438 0.95515117 0.57439712 1.0 Ca Ca3 1 0.19252122 0.04472033 0.92594262 1.0 Ca Ca4 1 0.69296243 0.54476945 0.57411815 1.0 Ca Ca5 1 0.19254429 0.45583629 0.92620573 1.0 Ca Ca6 1 0.30704756 0.04469709 0.42558984 1.0 Yb Yb7 1 0.46157316 0.75038326 0.00506200 1.0 Yb Yb8 1 0.96079972 0.24969951 0.49491575 1.0 Yb Yb9 1 0.53916920 0.24955799 0.99513290 1.0 Yb Yb10 1 0.03898381 0.75021951 0.50473218 1.0 Yb Yb11 1 0.64923225 0.75029337 0.29046588 1.0 Yb Yb12 1 0.14923844 0.24965000 0.20870804 1.0 Yb Yb13 1 0.35109792 0.24988808 0.70897198 1.0 Yb Yb14 1 0.85093728 0.75014907 0.79150728 1.0 Yb Yb15 1 0.31821960 0.75006939 0.72702042 1.0 Yb Yb16 1 0.81801877 0.25001874 0.77307335 1.0 Yb Yb17 1 0.68232152 0.24996493 0.27264828 1.0 Yb Yb18 1 0.18213393 0.75003568 0.22698188 1.0 Yb Yb19 1 0.80651748 0.95594917 0.07471701 1.0 Bi Bi20 1 0.43673497 0.01315643 0.17132987 1.0 Bi Bi21 1 0.93483647 0.98651668 0.32721928 1.0 Bi Bi22 1 0.56495503 0.51324717 0.82861769 1.0 Bi Bi23 1 0.06499132 0.48663936 0.67155831 1.0 Bi Bi24 1 0.56561022 0.98646981 0.82916366 1.0 Bi Bi25 1 0.06500986 0.01341360 0.67139976 1.0 Bi Bi26 1 0.43459294 0.48633421 0.17130834 1.0 Bi Bi27 1 0.93504289 0.51332507 0.32851924 1.0 Sb Sb28 1 0.07925536 0.75096004 0.98339233 1.0 Sb Sb29 1 0.58051566 0.24980193 0.51718768 1.0 Sb Sb30 1 0.91902103 0.24925555 0.01787729 1.0 Sb Sb31 1 0.41946706 0.75006820 0.48238616 1.0