# generated using pymatgen data_Ce2MgS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.93658696 _cell_length_b 7.76701172 _cell_length_c 12.92620638 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2MgS4 _chemical_formula_sum 'Ce16 Mg8 S32' _cell_volume 1298.80741167 _cell_formula_units_Z 8 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 0.10860141 0.88525240 0.68472845 1.0 Ce Ce1 1 0.89139859 0.11474760 0.18472845 1.0 Ce Ce2 1 0.39139859 0.88525240 0.18472845 1.0 Ce Ce3 1 0.60860141 0.11474760 0.68472845 1.0 Ce Ce4 1 0.12427813 0.38422353 0.32730225 1.0 Ce Ce5 1 0.87572187 0.61577647 0.82730225 1.0 Ce Ce6 1 0.37572187 0.38422353 0.82730225 1.0 Ce Ce7 1 0.62427813 0.61577647 0.32730225 1.0 Ce Ce8 1 0.13345088 0.62939433 0.99373251 1.0 Ce Ce9 1 0.86654912 0.37060567 0.49373251 1.0 Ce Ce10 1 0.36654912 0.62939433 0.49373251 1.0 Ce Ce11 1 0.63345088 0.37060567 0.99373251 1.0 Ce Ce12 1 0.13411775 0.12891122 0.99322560 1.0 Ce Ce13 1 0.86588225 0.87108878 0.49322560 1.0 Ce Ce14 1 0.36588225 0.12891122 0.49322560 1.0 Ce Ce15 1 0.63411775 0.87108878 0.99322560 1.0 Mg Mg16 1 0.10858405 0.38314899 0.69280141 1.0 Mg Mg17 1 0.89141595 0.61685101 0.19280141 1.0 Mg Mg18 1 0.39141595 0.38314899 0.19280141 1.0 Mg Mg19 1 0.60858405 0.61685101 0.69280141 1.0 Mg Mg20 1 0.12355670 0.87800871 0.32066023 1.0 Mg Mg21 1 0.87644330 0.12199129 0.82066023 1.0 Mg Mg22 1 0.37644330 0.87800871 0.82066023 1.0 Mg Mg23 1 0.62355670 0.12199129 0.32066023 1.0 S S24 1 0.01172130 0.88060579 0.87828921 1.0 S S25 1 0.98827870 0.11939421 0.37828921 1.0 S S26 1 0.48827870 0.88060579 0.37828921 1.0 S S27 1 0.51172130 0.11939421 0.87828921 1.0 S S28 1 0.02866987 0.38028265 0.13033783 1.0 S S29 1 0.97133013 0.61971735 0.63033783 1.0 S S30 1 0.47133013 0.38028265 0.63033783 1.0 S S31 1 0.52866987 0.61971735 0.13033783 1.0 S S32 1 0.02208434 0.37044472 0.86748927 1.0 S S33 1 0.97791566 0.62955528 0.36748927 1.0 S S34 1 0.47791566 0.37044472 0.36748927 1.0 S S35 1 0.52208434 0.62955528 0.86748927 1.0 S S36 1 0.04370468 0.87123561 0.14049426 1.0 S S37 1 0.95629532 0.12876439 0.64049426 1.0 S S38 1 0.45629532 0.87123561 0.64049426 1.0 S S39 1 0.54370468 0.12876439 0.14049426 1.0 S S40 1 0.20916105 0.87876225 0.49755088 1.0 S S41 1 0.79083895 0.12123775 0.99755088 1.0 S S42 1 0.29083895 0.87876225 0.99755088 1.0 S S43 1 0.70916105 0.12123775 0.49755088 1.0 S S44 1 0.20913690 0.38033799 0.52239264 1.0 S S45 1 0.79086310 0.61966201 0.02239264 1.0 S S46 1 0.29086310 0.38033799 0.02239264 1.0 S S47 1 0.70913690 0.61966201 0.52239264 1.0 S S48 1 0.23333514 0.13128360 0.77285647 1.0 S S49 1 0.76666486 0.86871640 0.27285647 1.0 S S50 1 0.26666486 0.13128360 0.27285647 1.0 S S51 1 0.73333514 0.86871640 0.77285647 1.0 S S52 1 0.23219677 0.63384666 0.77514001 1.0 S S53 1 0.76780323 0.36615334 0.27514001 1.0 S S54 1 0.26780323 0.63384666 0.27514001 1.0 S S55 1 0.73219677 0.36615334 0.77514001 1.0