# generated using pymatgen data_SmNiSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22180732 _cell_length_b 12.58594006 _cell_length_c 18.27256432 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmNiSb3 _chemical_formula_sum 'Sm12 Ni12 Sb36' _cell_volume 1430.87506624 _cell_formula_units_Z 12 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 Sm Sm0 1 0.52745090 0.70001102 0.41634105 1.0 Sm Sm1 1 0.94047040 0.30592492 0.75000000 1.0 Sm Sm2 1 0.55952960 0.30592492 0.25000000 1.0 Sm Sm3 1 0.97254910 0.70001102 0.91634105 1.0 Sm Sm4 1 0.02745090 0.29998898 0.41634105 1.0 Sm Sm5 1 0.05952960 0.69407508 0.25000000 1.0 Sm Sm6 1 0.47254910 0.29998898 0.91634105 1.0 Sm Sm7 1 0.47254910 0.29998898 0.58365895 1.0 Sm Sm8 1 0.52745090 0.70001102 0.08365895 1.0 Sm Sm9 1 0.97254910 0.70001102 0.58365895 1.0 Sm Sm10 1 0.02745090 0.29998898 0.08365895 1.0 Sm Sm11 1 0.44047040 0.69407508 0.75000000 1.0 Ni Ni12 1 0.75000000 0.10225101 0.50000000 1.0 Ni Ni13 1 0.67367262 0.90181449 0.67554262 1.0 Ni Ni14 1 0.32632738 0.09818551 0.17554262 1.0 Ni Ni15 1 0.25000000 0.89774899 0.50000000 1.0 Ni Ni16 1 0.82632738 0.90181449 0.32445738 1.0 Ni Ni17 1 0.17367262 0.09818551 0.67554262 1.0 Ni Ni18 1 0.32632738 0.09818551 0.32445738 1.0 Ni Ni19 1 0.82632738 0.90181449 0.17554262 1.0 Ni Ni20 1 0.17367262 0.09818551 0.82445738 1.0 Ni Ni21 1 0.75000000 0.10225101 -0.00000000 1.0 Ni Ni22 1 0.25000000 0.89774899 -0.00000000 1.0 Ni Ni23 1 0.67367262 0.90181449 0.82445738 1.0 Sb Sb24 1 0.95873321 0.97436441 0.58659839 1.0 Sb Sb25 1 0.45873321 0.02563559 0.91340161 1.0 Sb Sb26 1 0.02669836 0.77413768 0.08394086 1.0 Sb Sb27 1 0.97330164 0.22586232 0.91605914 1.0 Sb Sb28 1 0.05405968 0.22157277 0.25000000 1.0 Sb Sb29 1 0.79386299 0.50348284 0.16613443 1.0 Sb Sb30 1 0.75000000 0.49662068 0.50000000 1.0 Sb Sb31 1 0.75000000 0.49662068 -0.00000000 1.0 Sb Sb32 1 0.04126679 0.02563559 0.08659839 1.0 Sb Sb33 1 0.02669836 0.77413768 0.41605914 1.0 Sb Sb34 1 0.29386299 0.49651716 0.33386557 1.0 Sb Sb35 1 0.20613701 0.49651716 0.66613443 1.0 Sb Sb36 1 0.31714424 0.94221637 0.75000000 1.0 Sb Sb37 1 0.47330164 0.77413768 0.58394086 1.0 Sb Sb38 1 0.18285576 0.94221637 0.25000000 1.0 Sb Sb39 1 0.68285576 0.05778363 0.25000000 1.0 Sb Sb40 1 0.52669836 0.22586232 0.41605914 1.0 Sb Sb41 1 0.44594032 0.22157277 0.75000000 1.0 Sb Sb42 1 0.70613701 0.50348284 0.66613443 1.0 Sb Sb43 1 0.54126679 0.97436441 0.08659839 1.0 Sb Sb44 1 0.70613701 0.50348284 0.83386557 1.0 Sb Sb45 1 0.94594032 0.77842723 0.75000000 1.0 Sb Sb46 1 0.25000000 0.50337932 0.50000000 1.0 Sb Sb47 1 0.25000000 0.50337932 -0.00000000 1.0 Sb Sb48 1 0.47330164 0.77413768 0.91605914 1.0 Sb Sb49 1 0.29386299 0.49651716 0.16613443 1.0 Sb Sb50 1 0.20613701 0.49651716 0.83386557 1.0 Sb Sb51 1 0.45873321 0.02563559 0.58659839 1.0 Sb Sb52 1 0.04126679 0.02563559 0.41340161 1.0 Sb Sb53 1 0.52669836 0.22586232 0.08394086 1.0 Sb Sb54 1 0.79386299 0.50348284 0.33386557 1.0 Sb Sb55 1 0.81714424 0.05778363 0.75000000 1.0 Sb Sb56 1 0.97330164 0.22586232 0.58394086 1.0 Sb Sb57 1 0.55405968 0.77842723 0.25000000 1.0 Sb Sb58 1 0.95873321 0.97436441 0.91340161 1.0 Sb Sb59 1 0.54126679 0.97436441 0.41340161 1.0