# generated using pymatgen data_SrYbH9W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69367076 _cell_length_b 8.69367062 _cell_length_c 5.00882771 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000055 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYbH9W _chemical_formula_sum 'Sr3 Yb3 H27 W3' _cell_volume 327.84841909 _cell_formula_units_Z 3 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 0.00000000 0.60816521 0.00000000 1.0 Sr Sr1 1 0.39183479 0.39183479 0.00000000 1.0 Sr Sr2 1 0.60816521 0.00000000 0.00000000 1.0 Yb Yb3 1 0.00000000 0.26129280 0.50000000 1.0 Yb Yb4 1 0.73870720 0.73870720 0.50000000 1.0 Yb Yb5 1 0.26129280 0.00000000 0.50000000 1.0 H H6 1 0.81263173 0.33067573 0.74969057 1.0 H H7 1 0.66932427 0.48195500 0.74969057 1.0 H H8 1 0.51804500 0.18736827 0.74969057 1.0 H H9 1 0.18736827 0.51804500 0.25030943 1.0 H H10 1 0.51804500 0.18736827 0.25030943 1.0 H H11 1 0.81263173 0.33067573 0.25030943 1.0 H H12 1 0.66932427 0.48195500 0.25030943 1.0 H H13 1 0.33067573 0.81263173 0.74969057 1.0 H H14 1 0.48195500 0.66932427 0.74969057 1.0 H H15 1 0.20754026 0.00000000 0.00000000 1.0 H H16 1 0.79245974 0.79245974 0.00000000 1.0 H H17 1 0.00000000 0.20754026 0.00000000 1.0 H H18 1 0.85406778 0.00000000 0.25936347 1.0 H H19 1 0.14593222 0.14593222 0.74063653 1.0 H H20 1 0.00000000 0.85406778 0.74063653 1.0 H H21 1 0.00000000 0.85406778 0.25936347 1.0 H H22 1 0.14593222 0.14593222 0.25936347 1.0 H H23 1 0.85406778 0.00000000 0.74063653 1.0 H H24 1 0.13481780 0.67774079 0.50000000 1.0 H H25 1 0.54292299 0.86518220 0.50000000 1.0 H H26 1 0.32225921 0.45707701 0.50000000 1.0 H H27 1 0.45707701 0.32225921 0.50000000 1.0 H H28 1 0.86518220 0.54292299 0.50000000 1.0 H H29 1 0.67774079 0.13481780 0.50000000 1.0 H H30 1 0.18736827 0.51804500 0.74969057 1.0 H H31 1 0.33067573 0.81263173 0.25030943 1.0 H H32 1 0.48195500 0.66932427 0.25030943 1.0 W W33 1 0.66666700 0.33333300 0.50000000 1.0 W W34 1 0.33333300 0.66666700 0.50000000 1.0 W W35 1 0.00000000 0.00000000 0.00000000 1.0