# generated using pymatgen data_Ca6Nd13SmSn16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.05653990 _cell_length_b 8.48870079 _cell_length_c 16.12840368 _cell_angle_alpha 90.08962345 _cell_angle_beta 89.77703556 _cell_angle_gamma 89.78499978 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6Nd13SmSn16 _chemical_formula_sum 'Ca6 Nd13 Sm1 Sn16' _cell_volume 1102.99688492 _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 0.99443469 0.18376462 0.40629229 1.0 Ca Ca1 1 0.33454963 0.82938655 0.12304329 1.0 Ca Ca2 1 0.16470034 0.49546107 0.24899464 1.0 Ca Ca3 1 0.66634805 0.00620613 0.24942971 1.0 Ca Ca4 1 0.33477934 0.99451311 0.75032608 1.0 Ca Ca5 1 0.83398130 0.50492960 0.75049156 1.0 Nd Nd6 1 0.50849317 0.68399244 0.90316701 1.0 Nd Nd7 1 0.83592349 0.67499113 0.12421885 1.0 Nd Nd8 1 0.16435139 0.32490159 0.87594929 1.0 Nd Nd9 1 0.51034943 0.68268490 0.59715985 1.0 Nd Nd10 1 0.66534985 0.17389104 0.62405607 1.0 Nd Nd11 1 0.83563498 0.67190320 0.37715335 1.0 Nd Nd12 1 0.99197170 0.18257119 0.09293986 1.0 Nd Nd13 1 0.00922963 0.81747349 0.90277994 1.0 Nd Nd14 1 0.66494412 0.17241848 0.87588273 1.0 Nd Nd15 1 0.48773524 0.31405002 0.09630284 1.0 Nd Nd16 1 0.33392350 0.82909566 0.37503887 1.0 Nd Nd17 1 0.01096101 0.81470400 0.59819253 1.0 Nd Nd18 1 0.48956735 0.31602173 0.40304426 1.0 Sm Sm19 1 0.16555947 0.32802519 0.62361513 1.0 Sn Sn20 1 0.82776448 0.46654584 0.54061002 1.0 Sn Sn21 1 0.66844153 0.96384627 0.46244219 1.0 Sn Sn22 1 0.70734826 0.85997998 0.74992243 1.0 Sn Sn23 1 0.17930435 0.54167857 0.46532671 1.0 Sn Sn24 1 0.32626553 0.03414227 0.96181781 1.0 Sn Sn25 1 0.79012510 0.36407271 0.24966126 1.0 Sn Sn26 1 0.82303724 0.46373800 0.96293515 1.0 Sn Sn27 1 0.53413446 0.60098277 0.25003388 1.0 Sn Sn28 1 0.17233306 0.53553783 0.03746244 1.0 Sn Sn29 1 0.46429070 0.39291073 0.74958047 1.0 Sn Sn30 1 0.20638536 0.63898209 0.74954314 1.0 Sn Sn31 1 0.96778341 0.10825361 0.74748302 1.0 Sn Sn32 1 0.32961504 0.03426376 0.53983595 1.0 Sn Sn33 1 0.67606765 0.96293480 0.03612858 1.0 Sn Sn34 1 0.28961749 0.14065667 0.24922575 1.0 Sn Sn35 1 0.03469864 0.89049196 0.24991306 1.0