# generated using pymatgen data_SrCaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35104100 _cell_length_b 7.33614900 _cell_length_c 11.67090700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaMg6 _chemical_formula_sum 'Sr2 Ca2 Mg12' _cell_volume 458.15352295 _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 0.10611300 1.0 Sr Sr1 1 0.50000000 0.00000000 0.60611300 1.0 Ca Ca2 1 0.00000000 0.50000000 0.39620200 1.0 Ca Ca3 1 0.00000000 0.00000000 0.89620200 1.0 Mg Mg4 1 0.00000000 0.21485800 0.16219500 1.0 Mg Mg5 1 0.00000000 0.78514200 0.16219500 1.0 Mg Mg6 1 0.00000000 0.50000000 0.90931100 1.0 Mg Mg7 1 0.50000000 0.28513900 0.83955000 1.0 Mg Mg8 1 0.50000000 0.71486100 0.83955000 1.0 Mg Mg9 1 0.50000000 0.50000000 0.58488300 1.0 Mg Mg10 1 0.00000000 0.71485800 0.66219500 1.0 Mg Mg11 1 0.00000000 0.28514200 0.66219500 1.0 Mg Mg12 1 0.00000000 0.00000000 0.40931100 1.0 Mg Mg13 1 0.50000000 0.78513900 0.33955000 1.0 Mg Mg14 1 0.50000000 0.21486100 0.33955000 1.0 Mg Mg15 1 0.50000000 0.00000000 0.08488300 1.0