# generated using pymatgen data_SrCaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42409700 _cell_length_b 7.13525900 _cell_length_c 11.87954000 _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 459.76595973 _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 0.83525300 1.0 Sr Sr1 1 0.50000000 0.00000000 0.33525300 1.0 Ca Ca2 1 0.50000000 0.50000000 0.33589000 1.0 Ca Ca3 1 0.50000000 0.00000000 0.83589000 1.0 Mg Mg4 1 0.50000000 0.24816600 0.08096300 1.0 Mg Mg5 1 0.50000000 0.75183400 0.08096300 1.0 Mg Mg6 1 0.00000000 0.24350200 0.92600000 1.0 Mg Mg7 1 0.00000000 0.75649800 0.92600000 1.0 Mg Mg8 1 0.00000000 0.50000000 0.15953000 1.0 Mg Mg9 1 0.00000000 0.50000000 0.65540300 1.0 Mg Mg10 1 0.50000000 0.74816600 0.58096300 1.0 Mg Mg11 1 0.50000000 0.25183400 0.58096300 1.0 Mg Mg12 1 0.00000000 0.74350200 0.42600000 1.0 Mg Mg13 1 0.00000000 0.25649800 0.42600000 1.0 Mg Mg14 1 0.00000000 0.00000000 0.65953000 1.0 Mg Mg15 1 0.00000000 0.00000000 0.15540300 1.0