# generated using pymatgen data_Sr3SmTi4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51851095 _cell_length_b 5.51851048 _cell_length_c 9.52603424 _cell_angle_alpha 73.40695484 _cell_angle_beta 73.40695597 _cell_angle_gamma 60.36540033 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3SmTi4O12 _chemical_formula_sum 'Sr3 Sm1 Ti4 O12' _cell_volume 238.00120582 _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 Sr Sr0 1 0.12208802 0.87791198 0.50000000 1.0 Sr Sr1 1 0.37701148 0.12347984 0.74823771 1.0 Sr Sr2 1 0.87652016 0.62298852 0.25176229 1.0 Sm Sm3 1 0.61365490 0.38634510 1.00000000 1.0 Ti Ti4 1 0.24747590 0.00163365 0.12645196 1.0 Ti Ti5 1 0.75229548 0.49911766 0.62362891 1.0 Ti Ti6 1 0.99836635 0.75252410 0.87354804 1.0 Ti Ti7 1 0.50088234 0.24770452 0.37637109 1.0 O O8 1 0.92134731 0.57052691 0.75642004 1.0 O O9 1 0.42947309 0.07865269 0.24357996 1.0 O O10 1 0.04287267 0.95712733 0.00000000 1.0 O O11 1 0.58046316 0.41953684 0.50000000 1.0 O O12 1 0.63683396 0.88400604 0.51055491 1.0 O O13 1 0.16805204 0.38740478 0.01201074 1.0 O O14 1 0.61259522 0.83194796 0.98798926 1.0 O O15 1 0.11599396 0.36316604 0.48944509 1.0 O O16 1 0.39347398 0.63526967 0.77185162 1.0 O O17 1 0.88804278 0.14217412 0.25885236 1.0 O O18 1 0.36473033 0.60652602 0.22814838 1.0 O O19 1 0.85782588 0.11195722 0.74114764 1.0