# generated using pymatgen data_SrMgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46055814 _cell_length_b 11.37030616 _cell_length_c 14.37672762 _cell_angle_alpha 89.99931581 _cell_angle_beta 90.00000537 _cell_angle_gamma 90.00000153 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgSi2 _chemical_formula_sum 'Sr8 Mg8 Si16' _cell_volume 729.15760189 _cell_formula_units_Z 8 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 0.24999968 0.52224844 0.19497394 1.0 Sr Sr1 1 0.25000050 0.73930358 0.93817399 1.0 Sr Sr2 1 0.74999997 0.26070176 0.06182670 1.0 Sr Sr3 1 0.75000024 0.23914387 0.56172646 1.0 Sr Sr4 1 0.24999916 0.76085618 0.43827383 1.0 Sr Sr5 1 0.25000017 0.97778390 0.69471725 1.0 Sr Sr6 1 0.74999996 0.02221613 0.30528439 1.0 Sr Sr7 1 0.74999997 0.47775030 0.80502248 1.0 Mg Mg8 1 0.25000027 0.44044221 0.44067035 1.0 Mg Mg9 1 0.75000032 0.55955484 0.55932856 1.0 Mg Mg10 1 0.75000015 0.94049697 0.05934550 1.0 Mg Mg11 1 0.25000010 0.05950475 0.94065418 1.0 Mg Mg12 1 0.25000009 0.68035184 0.68948633 1.0 Mg Mg13 1 0.74999997 0.31964871 0.31051341 1.0 Mg Mg14 1 0.75000009 0.18030219 0.81043113 1.0 Mg Mg15 1 0.24999998 0.81969771 0.18956922 1.0 Si Si16 1 0.75000004 0.95307074 0.86795703 1.0 Si Si17 1 0.25000010 0.45306613 0.63194893 1.0 Si Si18 1 0.75000004 0.54693114 0.36805010 1.0 Si Si19 1 0.25000001 0.02941010 0.47130535 1.0 Si Si20 1 0.25000006 0.04692966 0.13204400 1.0 Si Si21 1 0.25000008 0.27580674 0.72348575 1.0 Si Si22 1 0.74999970 0.72419186 0.27651435 1.0 Si Si23 1 0.75000001 0.77585308 0.77639103 1.0 Si Si24 1 0.25000002 0.21038275 0.39313379 1.0 Si Si25 1 0.74999991 0.97058826 0.52869720 1.0 Si Si26 1 0.74999986 0.52945170 0.02876902 1.0 Si Si27 1 0.24999993 0.47054985 0.97123053 1.0 Si Si28 1 0.25000003 0.28954089 0.89305415 1.0 Si Si29 1 0.74999971 0.78961483 0.60686640 1.0 Si Si30 1 0.74999999 0.71046104 0.10694534 1.0 Si Si31 1 0.24999992 0.22414785 0.22360933 1.0