# generated using pymatgen data_SrMg30TiO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62310106 _cell_length_b 8.62310106 _cell_length_c 8.62432280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMg30TiO32 _chemical_formula_sum 'Sr1 Mg30 Ti1 O32' _cell_volume 641.28628991 _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 0.00000000 0.00000000 0.50000000 1.0 Mg Mg1 1 0.00000000 0.50000000 0.00000000 1.0 Mg Mg2 1 0.00000000 0.50000000 0.50000000 1.0 Mg Mg3 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg4 1 0.50000000 0.00000000 0.50000000 1.0 Mg Mg5 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg6 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg7 1 0.00000000 0.25738647 0.24651636 1.0 Mg Mg8 1 0.00000000 0.25738647 0.75348364 1.0 Mg Mg9 1 0.00000000 0.74261353 0.24651636 1.0 Mg Mg10 1 0.00000000 0.74261353 0.75348364 1.0 Mg Mg11 1 0.50000000 0.25095069 0.24944070 1.0 Mg Mg12 1 0.50000000 0.25095069 0.75055930 1.0 Mg Mg13 1 0.50000000 0.74904931 0.24944070 1.0 Mg Mg14 1 0.50000000 0.74904931 0.75055930 1.0 Mg Mg15 1 0.25738647 0.00000000 0.24651636 1.0 Mg Mg16 1 0.25738647 0.00000000 0.75348364 1.0 Mg Mg17 1 0.25095069 0.50000000 0.24944070 1.0 Mg Mg18 1 0.25095069 0.50000000 0.75055930 1.0 Mg Mg19 1 0.74261353 -0.00000000 0.24651636 1.0 Mg Mg20 1 0.74261353 0.00000000 0.75348364 1.0 Mg Mg21 1 0.74904931 0.50000000 0.24944070 1.0 Mg Mg22 1 0.74904931 0.50000000 0.75055930 1.0 Mg Mg23 1 0.25088938 0.25088938 0.00000000 1.0 Mg Mg24 1 0.25533209 0.25533209 0.50000000 1.0 Mg Mg25 1 0.25088938 0.74911062 0.00000000 1.0 Mg Mg26 1 0.25533209 0.74466791 0.50000000 1.0 Mg Mg27 1 0.74911062 0.25088938 0.00000000 1.0 Mg Mg28 1 0.74466791 0.25533209 0.50000000 1.0 Mg Mg29 1 0.74911062 0.74911062 0.00000000 1.0 Mg Mg30 1 0.74466791 0.74466791 0.50000000 1.0 Ti Ti31 1 0.00000000 0.00000000 0.00000000 1.0 O O32 1 0.25713380 -0.00000000 0.00000000 1.0 O O33 1 0.27047125 0.00000000 0.50000000 1.0 O O34 1 0.25130881 0.50000000 0.00000000 1.0 O O35 1 0.25397542 0.50000000 0.50000000 1.0 O O36 1 0.74286620 0.00000000 0.00000000 1.0 O O37 1 0.72952875 -0.00000000 0.50000000 1.0 O O38 1 0.74869119 0.50000000 0.00000000 1.0 O O39 1 0.74602458 0.50000000 0.50000000 1.0 O O40 1 0.24951223 0.24951223 0.25011754 1.0 O O41 1 0.24951223 0.24951223 0.74988246 1.0 O O42 1 0.24951223 0.75048777 0.25011754 1.0 O O43 1 0.24951223 0.75048777 0.74988246 1.0 O O44 1 0.75048777 0.24951223 0.25011754 1.0 O O45 1 0.75048777 0.24951223 0.74988246 1.0 O O46 1 0.75048777 0.75048777 0.25011754 1.0 O O47 1 0.75048777 0.75048777 0.74988246 1.0 O O48 1 0.00000000 -0.00000000 0.23271176 1.0 O O49 1 0.00000000 -0.00000000 0.76728824 1.0 O O50 1 0.00000000 0.50000000 0.24633050 1.0 O O51 1 0.00000000 0.50000000 0.75366950 1.0 O O52 1 0.50000000 0.00000000 0.24633050 1.0 O O53 1 0.50000000 0.00000000 0.75366950 1.0 O O54 1 0.50000000 0.50000000 0.24910619 1.0 O O55 1 0.50000000 0.50000000 0.75089381 1.0 O O56 1 0.00000000 0.25713380 0.00000000 1.0 O O57 1 0.00000000 0.27047125 0.50000000 1.0 O O58 1 0.00000000 0.74286620 0.00000000 1.0 O O59 1 0.00000000 0.72952875 0.50000000 1.0 O O60 1 0.50000000 0.25130881 0.00000000 1.0 O O61 1 0.50000000 0.25397542 0.50000000 1.0 O O62 1 0.50000000 0.74869119 0.00000000 1.0 O O63 1 0.50000000 0.74602458 0.50000000 1.0