# generated using pymatgen data_Sm3Mg13Zn30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.64233022 _cell_length_b 14.64233022 _cell_length_c 8.66283600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000098 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Mg13Zn30 _chemical_formula_sum 'Sm6 Mg26 Zn60' _cell_volume 1608.46314350 _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 Sm Sm0 1 0.45911200 0.91822300 0.25000000 1.0 Sm Sm1 1 0.91822300 0.45911200 0.75000000 1.0 Sm Sm2 1 0.08177700 0.54088800 0.25000000 1.0 Sm Sm3 1 0.54088800 0.45911200 0.75000000 1.0 Sm Sm4 1 0.54088800 0.08177700 0.75000000 1.0 Sm Sm5 1 0.45911200 0.54088800 0.25000000 1.0 Mg Mg6 1 0.88419500 0.11580500 0.06516100 1.0 Mg Mg7 1 0.77193900 0.22806100 0.94792300 1.0 Mg Mg8 1 0.88419500 0.76839100 0.06516100 1.0 Mg Mg9 1 0.88419500 0.76839100 0.43483900 1.0 Mg Mg10 1 0.33333300 0.66666700 0.75000000 1.0 Mg Mg11 1 0.77193900 0.54387800 0.94792300 1.0 Mg Mg12 1 0.77193900 0.22806100 0.55207700 1.0 Mg Mg13 1 0.11580500 0.23160900 0.56516100 1.0 Mg Mg14 1 0.23160900 0.11580500 0.43483900 1.0 Mg Mg15 1 0.22806100 0.77193900 0.44792300 1.0 Mg Mg16 1 0.76839100 0.88419500 0.56516100 1.0 Mg Mg17 1 0.45612200 0.22806100 0.94792300 1.0 Mg Mg18 1 0.54387800 0.77193900 0.05207700 1.0 Mg Mg19 1 0.22806100 0.45612200 0.44792300 1.0 Mg Mg20 1 0.23160900 0.11580500 0.06516100 1.0 Mg Mg21 1 0.66666700 0.33333300 0.25000000 1.0 Mg Mg22 1 0.11580500 0.88419500 0.93483900 1.0 Mg Mg23 1 0.22806100 0.77193900 0.05207700 1.0 Mg Mg24 1 0.22806100 0.45612200 0.05207700 1.0 Mg Mg25 1 0.11580500 0.88419500 0.56516100 1.0 Mg Mg26 1 0.77193900 0.54387800 0.55207700 1.0 Mg Mg27 1 0.45612200 0.22806100 0.55207700 1.0 Mg Mg28 1 0.76839100 0.88419500 0.93483900 1.0 Mg Mg29 1 0.11580500 0.23160900 0.93483900 1.0 Mg Mg30 1 0.88419500 0.11580500 0.43483900 1.0 Mg Mg31 1 0.54387800 0.77193900 0.44792300 1.0 Zn Zn32 1 0.29024900 0.40858700 0.75000000 1.0 Zn Zn33 1 0.13761600 0.56880800 0.91279800 1.0 Zn Zn34 1 0.11833800 0.70975100 0.75000000 1.0 Zn Zn35 1 0.59141300 0.70975100 0.75000000 1.0 Zn Zn36 1 0.56880800 0.13761600 0.08720200 1.0 Zn Zn37 1 0.30310600 0.23911100 0.75000000 1.0 Zn Zn38 1 0.64133000 0.00000000 0.50000000 1.0 Zn Zn39 1 0.06399500 0.76088900 0.25000000 1.0 Zn Zn40 1 0.66666700 0.33333300 0.59957700 1.0 Zn Zn41 1 0.29024900 0.88166200 0.75000000 1.0 Zn Zn42 1 0.93600500 0.69689400 0.75000000 1.0 Zn Zn43 1 0.93854500 0.06145500 0.75000000 1.0 Zn Zn44 1 0.64133000 0.00000000 0.00000000 1.0 Zn Zn45 1 0.56880800 0.43119200 0.41279800 1.0 Zn Zn46 1 0.76088900 0.69689400 0.75000000 1.0 Zn Zn47 1 0.43119200 0.56880800 0.91279800 1.0 Zn Zn48 1 0.00000000 0.35867000 0.50000000 1.0 Zn Zn49 1 0.33333300 0.66666700 0.09957700 1.0 Zn Zn50 1 0.56880800 0.43119200 0.08720200 1.0 Zn Zn51 1 0.43119200 0.56880800 0.58720200 1.0 Zn Zn52 1 0.93600500 0.23911100 0.75000000 1.0 Zn Zn53 1 0.70975100 0.11833800 0.25000000 1.0 Zn Zn54 1 0.69689400 0.93600500 0.25000000 1.0 Zn Zn55 1 0.06145500 0.93854500 0.25000000 1.0 Zn Zn56 1 0.43119200 0.86238400 0.91279800 1.0 Zn Zn57 1 0.93854500 0.87708900 0.75000000 1.0 Zn Zn58 1 0.35867000 0.00000000 0.00000000 1.0 Zn Zn59 1 0.23911100 0.93600500 0.25000000 1.0 Zn Zn60 1 0.66666700 0.33333300 0.90042300 1.0 Zn Zn61 1 0.33333300 0.66666700 0.40042300 1.0 Zn Zn62 1 0.00000000 0.35867000 0.00000000 1.0 Zn Zn63 1 0.35867000 0.35867000 0.00000000 1.0 Zn Zn64 1 0.70975100 0.59141300 0.25000000 1.0 Zn Zn65 1 0.88166200 0.29024900 0.25000000 1.0 Zn Zn66 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn67 1 0.13761600 0.56880800 0.58720200 1.0 Zn Zn68 1 0.11833800 0.40858700 0.75000000 1.0 Zn Zn69 1 0.56880800 0.13761600 0.41279800 1.0 Zn Zn70 1 0.76088900 0.06399500 0.75000000 1.0 Zn Zn71 1 0.00000000 0.64133000 0.00000000 1.0 Zn Zn72 1 0.86238400 0.43119200 0.08720200 1.0 Zn Zn73 1 0.06399500 0.30310600 0.25000000 1.0 Zn Zn74 1 0.59141300 0.88166200 0.75000000 1.0 Zn Zn75 1 0.64133000 0.64133000 0.50000000 1.0 Zn Zn76 1 0.69689400 0.76088900 0.25000000 1.0 Zn Zn77 1 0.35867000 0.35867000 0.50000000 1.0 Zn Zn78 1 0.40858700 0.29024900 0.25000000 1.0 Zn Zn79 1 0.88166200 0.59141300 0.25000000 1.0 Zn Zn80 1 0.64133000 0.64133000 0.00000000 1.0 Zn Zn81 1 0.12291100 0.06145500 0.75000000 1.0 Zn Zn82 1 0.30310600 0.06399500 0.75000000 1.0 Zn Zn83 1 0.00000000 0.64133000 0.50000000 1.0 Zn Zn84 1 0.06145500 0.12291100 0.25000000 1.0 Zn Zn85 1 0.87708900 0.93854500 0.25000000 1.0 Zn Zn86 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn87 1 0.35867000 0.00000000 0.50000000 1.0 Zn Zn88 1 0.43119200 0.86238400 0.58720200 1.0 Zn Zn89 1 0.23911100 0.30310600 0.25000000 1.0 Zn Zn90 1 0.86238400 0.43119200 0.41279800 1.0 Zn Zn91 1 0.40858700 0.11833800 0.25000000 1.0