# generated using pymatgen data_Ca3Nd7Sn8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06185193 _cell_length_b 8.49319816 _cell_length_c 16.14054924 _cell_angle_alpha 90.14771701 _cell_angle_beta 89.80944633 _cell_angle_gamma 89.81430274 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Nd7Sn8 _chemical_formula_sum 'Ca6 Nd14 Sn16' _cell_volume 1105.14240916 _cell_formula_units_Z 2 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 0.99432342 0.18392054 0.40578773 1.0 Ca Ca1 1 0.33460737 0.82949584 0.12296374 1.0 Ca Ca2 1 0.16425981 0.49581100 0.24878213 1.0 Ca Ca3 1 0.66616333 0.00618802 0.24923373 1.0 Ca Ca4 1 0.33500261 0.99457684 0.75067867 1.0 Ca Ca5 1 0.83429155 0.50503064 0.75074521 1.0 Nd Nd6 1 0.16505555 0.32761551 0.62321589 1.0 Nd Nd7 1 0.50858810 0.68441070 0.90374098 1.0 Nd Nd8 1 0.83559154 0.67501704 0.12412719 1.0 Nd Nd9 1 0.16447465 0.32477635 0.87633791 1.0 Nd Nd10 1 0.51033346 0.68267345 0.59698704 1.0 Nd Nd11 1 0.66556876 0.17340672 0.62447317 1.0 Nd Nd12 1 0.83582562 0.67196354 0.37671612 1.0 Nd Nd13 1 0.99204991 0.18256079 0.09293089 1.0 Nd Nd14 1 0.00910517 0.81759237 0.90336246 1.0 Nd Nd15 1 0.66492593 0.17241692 0.87634182 1.0 Nd Nd16 1 0.48755835 0.31384992 0.09621798 1.0 Nd Nd17 1 0.33413312 0.82944231 0.37429967 1.0 Nd Nd18 1 0.01099529 0.81391066 0.59817885 1.0 Nd Nd19 1 0.49004186 0.31659817 0.40295646 1.0 Sn Sn20 1 0.82432527 0.46661790 0.53989530 1.0 Sn Sn21 1 0.66882614 0.96412814 0.46228764 1.0 Sn Sn22 1 0.70716956 0.85961177 0.75040277 1.0 Sn Sn23 1 0.17956873 0.54285739 0.46417630 1.0 Sn Sn24 1 0.32619517 0.03439119 0.96206322 1.0 Sn Sn25 1 0.78989596 0.36406299 0.24931042 1.0 Sn Sn26 1 0.82375014 0.46392685 0.96290714 1.0 Sn Sn27 1 0.53398704 0.60052293 0.24958264 1.0 Sn Sn28 1 0.17228355 0.53548419 0.03763839 1.0 Sn Sn29 1 0.46508402 0.39359266 0.75068835 1.0 Sn Sn30 1 0.20678494 0.63969469 0.75031835 1.0 Sn Sn31 1 0.96713175 0.10639690 0.74837940 1.0 Sn Sn32 1 0.33141340 0.03247934 0.53953961 1.0 Sn Sn33 1 0.67633105 0.96288919 0.03622063 1.0 Sn Sn34 1 0.28969572 0.14098167 0.24895908 1.0 Sn Sn35 1 0.03466319 0.89110686 0.24955111 1.0