# generated using pymatgen data_CeMg2H7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28062211 _cell_length_b 6.28062211 _cell_length_c 9.43592393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeMg2H7 _chemical_formula_sum 'Ce4 Mg8 H28' _cell_volume 372.21147547 _cell_formula_units_Z 4 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 Ce Ce0 1 0.77105805 0.22894195 0.75000000 1.0 Ce Ce1 1 0.22894195 0.77105805 0.25000000 1.0 Ce Ce2 1 0.72894195 0.72894195 0.50000000 1.0 Ce Ce3 1 0.27105805 0.27105805 0.00000000 1.0 Mg Mg4 1 0.52719634 0.23674956 0.39967796 1.0 Mg Mg5 1 0.47280366 0.76325044 0.89967796 1.0 Mg Mg6 1 0.73674956 0.97280366 0.14967796 1.0 Mg Mg7 1 0.26325044 0.02719634 0.64967796 1.0 Mg Mg8 1 0.76325044 0.47280366 0.10032204 1.0 Mg Mg9 1 0.23674956 0.52719634 0.60032204 1.0 Mg Mg10 1 0.97280366 0.73674956 0.85032204 1.0 Mg Mg11 1 0.02719634 0.26325044 0.35032204 1.0 H H12 1 0.53493073 0.47056787 0.62145258 1.0 H H13 1 0.46506927 0.52943213 0.12145258 1.0 H H14 1 0.97056787 0.96506927 0.37145258 1.0 H H15 1 0.02943213 0.03493073 0.87145258 1.0 H H16 1 0.52943213 0.46506927 0.87854742 1.0 H H17 1 0.47056787 0.53493073 0.37854742 1.0 H H18 1 0.96506927 0.97056787 0.62854742 1.0 H H19 1 0.03493073 0.02943213 0.12854742 1.0 H H20 1 0.57185927 0.06398172 0.57329175 1.0 H H21 1 0.42814073 0.93601828 0.07329175 1.0 H H22 1 0.56398172 0.92814073 0.32329175 1.0 H H23 1 0.43601828 0.07185927 0.82329175 1.0 H H24 1 0.93601828 0.42814073 0.92670825 1.0 H H25 1 0.06398172 0.57185927 0.42670825 1.0 H H26 1 0.92814073 0.56398172 0.67670825 1.0 H H27 1 0.07185927 0.43601828 0.17670825 1.0 H H28 1 0.80401178 0.34025665 0.49498333 1.0 H H29 1 0.19598822 0.65974335 -0.00501667 1.0 H H30 1 0.84025665 0.69598822 0.24498333 1.0 H H31 1 0.15974335 0.30401178 0.74498333 1.0 H H32 1 0.65974335 0.19598822 0.00501667 1.0 H H33 1 0.34025665 0.80401178 0.50501667 1.0 H H34 1 0.69598822 0.84025665 0.75501667 1.0 H H35 1 0.30401178 0.15974335 0.25501667 1.0 H H36 1 0.25642244 0.74357756 0.75000000 1.0 H H37 1 0.74357756 0.25642244 0.25000000 1.0 H H38 1 0.24357756 0.24357756 0.50000000 1.0 H H39 1 0.75642244 0.75642244 0.00000000 1.0