# generated using pymatgen data_Zr6Al2FeH10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.12779976 _cell_length_b 8.12779976 _cell_length_c 7.16744100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999805 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al2FeH10 _chemical_formula_sum 'Zr12 Al4 Fe2 H20' _cell_volume 410.05372186 _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 Zr Zr0 1 0.74086600 0.00000000 0.00000000 1.0 Zr Zr1 1 0.00000000 0.74086600 0.00000000 1.0 Zr Zr2 1 0.74086600 0.00000000 0.50000000 1.0 Zr Zr3 1 0.25913400 0.25913400 0.00000000 1.0 Zr Zr4 1 0.00000000 0.74086600 0.50000000 1.0 Zr Zr5 1 0.25913400 0.25913400 0.50000000 1.0 Zr Zr6 1 0.42632400 0.04883900 0.25000000 1.0 Zr Zr7 1 0.95116100 0.37748500 0.25000000 1.0 Zr Zr8 1 0.04883900 0.42632400 0.75000000 1.0 Zr Zr9 1 0.62251500 0.57367600 0.25000000 1.0 Zr Zr10 1 0.37748500 0.95116100 0.75000000 1.0 Zr Zr11 1 0.57367600 0.62251500 0.75000000 1.0 Al Al12 1 0.33333300 0.66666700 0.05268100 1.0 Al Al13 1 0.33333300 0.66666700 0.44731900 1.0 Al Al14 1 0.66666700 0.33333300 0.94731900 1.0 Al Al15 1 0.66666700 0.33333300 0.55268100 1.0 Fe Fe16 1 0.00000000 0.00000000 0.25000000 1.0 Fe Fe17 1 0.00000000 0.00000000 0.75000000 1.0 H H18 1 0.28270100 0.00000000 0.00000000 1.0 H H19 1 0.00000000 0.28270100 0.00000000 1.0 H H20 1 0.28270100 0.00000000 0.50000000 1.0 H H21 1 0.71729900 0.71729900 0.00000000 1.0 H H22 1 0.00000000 0.28270100 0.50000000 1.0 H H23 1 0.71729900 0.71729900 0.50000000 1.0 H H24 1 0.40865700 0.29147800 0.25000000 1.0 H H25 1 0.70852200 0.11717900 0.25000000 1.0 H H26 1 0.29147800 0.40865700 0.75000000 1.0 H H27 1 0.88282100 0.59134300 0.25000000 1.0 H H28 1 0.11717900 0.70852200 0.75000000 1.0 H H29 1 0.59134300 0.88282100 0.75000000 1.0 H H30 1 0.11628200 0.23598700 0.25000000 1.0 H H31 1 0.76401300 0.88029500 0.25000000 1.0 H H32 1 0.23598700 0.11628200 0.75000000 1.0 H H33 1 0.11970500 0.88371800 0.25000000 1.0 H H34 1 0.88029500 0.76401300 0.75000000 1.0 H H35 1 0.88371800 0.11970500 0.75000000 1.0 H H36 1 0.00000000 0.00000000 0.00000000 1.0 H H37 1 0.00000000 0.00000000 0.50000000 1.0