# generated using pymatgen data_SrHfMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75004400 _cell_length_b 8.96760000 _cell_length_c 9.56244800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfMg6 _chemical_formula_sum 'Sr2 Hf2 Mg12' _cell_volume 407.32676435 _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 0.00000000 0.00000000 0.12789000 1.0 Sr Sr1 1 0.00000000 0.50000000 0.62789000 1.0 Hf Hf2 1 0.00000000 0.00000000 0.62449100 1.0 Hf Hf3 1 0.00000000 0.50000000 0.12449100 1.0 Mg Mg4 1 0.00000000 0.25085600 0.37798400 1.0 Mg Mg5 1 0.00000000 0.74914400 0.37798400 1.0 Mg Mg6 1 0.50000000 0.22752500 0.62223400 1.0 Mg Mg7 1 0.50000000 0.77247500 0.62223400 1.0 Mg Mg8 1 0.50000000 0.00000000 0.39240000 1.0 Mg Mg9 1 0.50000000 0.00000000 0.85477900 1.0 Mg Mg10 1 0.00000000 0.75085600 0.87798400 1.0 Mg Mg11 1 0.00000000 0.24914400 0.87798400 1.0 Mg Mg12 1 0.50000000 0.72752500 0.12223400 1.0 Mg Mg13 1 0.50000000 0.27247500 0.12223400 1.0 Mg Mg14 1 0.50000000 0.50000000 0.89240000 1.0 Mg Mg15 1 0.50000000 0.50000000 0.35477900 1.0