# generated using pymatgen data_SrMg6Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22464100 _cell_length_b 6.71384500 _cell_length_c 11.46021700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMg6Ti _chemical_formula_sum 'Sr2 Mg12 Ti2' _cell_volume 401.99495794 _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 Sr Sr0 1 0.50000000 0.50000000 0.16028300 1.0 Sr Sr1 1 0.50000000 0.00000000 0.66028300 1.0 Mg Mg2 1 0.00000000 0.23281100 0.08025900 1.0 Mg Mg3 1 0.00000000 0.76718900 0.08025900 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83974800 1.0 Mg Mg5 1 0.50000000 0.23019300 0.91173500 1.0 Mg Mg6 1 0.50000000 0.76980700 0.91173500 1.0 Mg Mg7 1 0.50000000 0.50000000 0.66578500 1.0 Mg Mg8 1 0.00000000 0.73281100 0.58025900 1.0 Mg Mg9 1 0.00000000 0.26718900 0.58025900 1.0 Mg Mg10 1 0.00000000 0.00000000 0.33974800 1.0 Mg Mg11 1 0.50000000 0.73019300 0.41173500 1.0 Mg Mg12 1 0.50000000 0.26980700 0.41173500 1.0 Mg Mg13 1 0.50000000 0.00000000 0.16578500 1.0 Ti Ti14 1 0.00000000 0.50000000 0.35019600 1.0 Ti Ti15 1 0.00000000 0.00000000 0.85019600 1.0