# generated using pymatgen data_Mg21Zn25 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.04242842 _cell_length_b 15.04242874 _cell_length_c 15.04242855 _cell_angle_alpha 116.40747498 _cell_angle_beta 116.40747556 _cell_angle_gamma 116.40747560 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg21Zn25 _chemical_formula_sum 'Mg42 Zn50' _cell_volume 1634.63319926 _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 Mg Mg0 1 0.55719738 0.25000000 0.94280262 1.0 Mg Mg1 1 0.43686365 0.95494517 0.85876590 1.0 Mg Mg2 1 0.04505483 0.14123410 0.56313635 1.0 Mg Mg3 1 0.56529080 0.68133156 0.44786649 1.0 Mg Mg4 1 0.25000000 0.94280262 0.55719738 1.0 Mg Mg5 1 0.64123410 0.54505483 0.06313635 1.0 Mg Mg6 1 0.44280262 0.75000000 0.05719738 1.0 Mg Mg7 1 0.72359925 0.18382319 0.95173193 1.0 Mg Mg8 1 0.04826807 0.27640075 0.81617681 1.0 Mg Mg9 1 0.68133156 0.44786649 0.56529080 1.0 Mg Mg10 1 0.85876590 0.43686365 0.95494517 1.0 Mg Mg11 1 0.93686365 0.35876590 0.45494517 1.0 Mg Mg12 1 0.94786649 0.18133156 0.06529080 1.0 Mg Mg13 1 0.27640075 0.81617681 0.04826807 1.0 Mg Mg14 1 0.75000000 0.05719738 0.44280262 1.0 Mg Mg15 1 0.35876590 0.45494517 0.93686365 1.0 Mg Mg16 1 0.06313635 0.64123410 0.54505483 1.0 Mg Mg17 1 0.45494517 0.93686365 0.35876590 1.0 Mg Mg18 1 0.22359925 0.45173193 0.68382319 1.0 Mg Mg19 1 0.05213351 0.81866844 0.93470920 1.0 Mg Mg20 1 0.18382319 0.95173193 0.72359925 1.0 Mg Mg21 1 0.95494517 0.85876590 0.43686365 1.0 Mg Mg22 1 0.31866844 0.55213351 0.43470920 1.0 Mg Mg23 1 0.55213351 0.43470920 0.31866844 1.0 Mg Mg24 1 0.68382319 0.22359925 0.45173193 1.0 Mg Mg25 1 0.05719738 0.44280262 0.75000000 1.0 Mg Mg26 1 0.31617681 0.77640075 0.54826807 1.0 Mg Mg27 1 0.95173193 0.72359925 0.18382319 1.0 Mg Mg28 1 0.94280262 0.55719738 0.25000000 1.0 Mg Mg29 1 0.45173193 0.68382319 0.22359925 1.0 Mg Mg30 1 0.81866844 0.93470920 0.05213351 1.0 Mg Mg31 1 0.14123410 0.56313635 0.04505483 1.0 Mg Mg32 1 0.93470920 0.05213351 0.81866844 1.0 Mg Mg33 1 0.18133156 0.06529080 0.94786649 1.0 Mg Mg34 1 0.56313635 0.04505483 0.14123410 1.0 Mg Mg35 1 0.06529080 0.94786649 0.18133156 1.0 Mg Mg36 1 0.81617681 0.04826807 0.27640075 1.0 Mg Mg37 1 0.54826807 0.31617681 0.77640075 1.0 Mg Mg38 1 0.77640075 0.54826807 0.31617681 1.0 Mg Mg39 1 0.54505483 0.06313635 0.64123410 1.0 Mg Mg40 1 0.44786649 0.56529080 0.68133156 1.0 Mg Mg41 1 0.43470920 0.31866844 0.55213351 1.0 Zn Zn42 1 0.51915086 0.81091894 0.92771495 1.0 Zn Zn43 1 0.19191743 0.75000000 0.30808257 1.0 Zn Zn44 1 0.26398016 0.61925199 0.61897651 1.0 Zn Zn45 1 0.88074801 0.23601984 0.88102349 1.0 Zn Zn46 1 0.07228505 0.48084914 0.18908106 1.0 Zn Zn47 1 0.87287914 0.80859749 0.57146673 1.0 Zn Zn48 1 0.31079127 0.18920873 0.25000000 1.0 Zn Zn49 1 0.42771495 0.31091894 0.01915086 1.0 Zn Zn50 1 0.38074801 0.38102349 0.73601984 1.0 Zn Zn51 1 0.68908106 0.98084914 0.57228505 1.0 Zn Zn52 1 0.98084914 0.57228505 0.68908106 1.0 Zn Zn53 1 0.18920873 0.25000000 0.31079127 1.0 Zn Zn54 1 0.57146673 0.87287914 0.80859749 1.0 Zn Zn55 1 0.38102349 0.73601984 0.38074801 1.0 Zn Zn56 1 0.61925199 0.61897651 0.26398016 1.0 Zn Zn57 1 0.80808257 0.25000000 0.69191743 1.0 Zn Zn58 1 0.30808257 0.19191743 0.75000000 1.0 Zn Zn59 1 0.31091894 0.01915086 0.42771495 1.0 Zn Zn60 1 0.92853327 0.69140251 0.62712086 1.0 Zn Zn61 1 0.01915086 0.42771495 0.31091894 1.0 Zn Zn62 1 0.68920873 0.81079127 0.75000000 1.0 Zn Zn63 1 0.69140251 0.62712086 0.92853327 1.0 Zn Zn64 1 0.18908106 0.07228505 0.48084914 1.0 Zn Zn65 1 0.23601984 0.88102349 0.88074801 1.0 Zn Zn66 1 0.25000000 0.31079127 0.18920873 1.0 Zn Zn67 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn68 1 0.75000000 0.30808257 0.19191743 1.0 Zn Zn69 1 0.37287914 0.07146673 0.30859749 1.0 Zn Zn70 1 0.30859749 0.37287914 0.07146673 1.0 Zn Zn71 1 0.62712086 0.92853327 0.69140251 1.0 Zn Zn72 1 0.81079127 0.75000000 0.68920873 1.0 Zn Zn73 1 0.19140251 0.42853327 0.12712086 1.0 Zn Zn74 1 0.61897651 0.26398016 0.61925199 1.0 Zn Zn75 1 0.69191743 0.80808257 0.25000000 1.0 Zn Zn76 1 0.75000000 0.68920873 0.81079127 1.0 Zn Zn77 1 0.81091894 0.92771495 0.51915086 1.0 Zn Zn78 1 0.50000000 0.50000000 0.50000000 1.0 Zn Zn79 1 0.73601984 0.38074801 0.38102349 1.0 Zn Zn80 1 0.11925199 0.76398016 0.11897651 1.0 Zn Zn81 1 0.42853327 0.12712086 0.19140251 1.0 Zn Zn82 1 0.92771495 0.51915086 0.81091894 1.0 Zn Zn83 1 0.88102349 0.88074801 0.23601984 1.0 Zn Zn84 1 0.12712086 0.19140251 0.42853327 1.0 Zn Zn85 1 0.48084914 0.18908106 0.07228505 1.0 Zn Zn86 1 0.25000000 0.69191743 0.80808257 1.0 Zn Zn87 1 0.57228505 0.68908106 0.98084914 1.0 Zn Zn88 1 0.07146673 0.30859749 0.37287914 1.0 Zn Zn89 1 0.76398016 0.11897651 0.11925199 1.0 Zn Zn90 1 0.11897651 0.11925199 0.76398016 1.0 Zn Zn91 1 0.80859749 0.57146673 0.87287914 1.0