# generated using pymatgen data_Zr6Al2NiH10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08079993 _cell_length_b 8.08079993 _cell_length_c 7.22311300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999941 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al2NiH10 _chemical_formula_sum 'Zr12 Al4 Ni2 H20' _cell_volume 408.47337325 _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 0.57816000 0.62479000 0.75000000 1.0 Zr Zr1 1 0.37521000 0.95337000 0.75000000 1.0 Zr Zr2 1 0.04663000 0.42184000 0.75000000 1.0 Zr Zr3 1 0.62479000 0.57816000 0.25000000 1.0 Zr Zr4 1 0.95337000 0.37521000 0.25000000 1.0 Zr Zr5 1 0.42184000 0.04663000 0.25000000 1.0 Zr Zr6 1 0.26243100 0.26243100 0.00000000 1.0 Zr Zr7 1 0.73756900 0.00000000 0.00000000 1.0 Zr Zr8 1 0.00000000 0.73756900 0.00000000 1.0 Zr Zr9 1 0.26243100 0.26243100 0.50000000 1.0 Zr Zr10 1 0.73756900 0.00000000 0.50000000 1.0 Zr Zr11 1 0.00000000 0.73756900 0.50000000 1.0 Al Al12 1 0.66666700 0.33333300 0.94872600 1.0 Al Al13 1 0.66666700 0.33333300 0.55127400 1.0 Al Al14 1 0.33333300 0.66666700 0.44872600 1.0 Al Al15 1 0.33333300 0.66666700 0.05127400 1.0 Ni Ni16 1 0.00000000 0.00000000 0.75000000 1.0 Ni Ni17 1 0.00000000 0.00000000 0.25000000 1.0 H H18 1 0.87849900 0.11772300 0.75000000 1.0 H H19 1 0.88227700 0.76077600 0.75000000 1.0 H H20 1 0.23922400 0.12150100 0.75000000 1.0 H H21 1 0.11772300 0.87849900 0.25000000 1.0 H H22 1 0.76077600 0.88227700 0.25000000 1.0 H H23 1 0.12150100 0.23922400 0.25000000 1.0 H H24 1 0.59506800 0.88572800 0.75000000 1.0 H H25 1 0.11427200 0.70934100 0.75000000 1.0 H H26 1 0.29065900 0.40493200 0.75000000 1.0 H H27 1 0.88572800 0.59506800 0.25000000 1.0 H H28 1 0.70934100 0.11427200 0.25000000 1.0 H H29 1 0.40493200 0.29065900 0.25000000 1.0 H H30 1 0.72039200 0.72039200 0.00000000 1.0 H H31 1 0.27960800 0.00000000 0.00000000 1.0 H H32 1 0.00000000 0.27960800 0.00000000 1.0 H H33 1 0.72039200 0.72039200 0.50000000 1.0 H H34 1 0.27960800 0.00000000 0.50000000 1.0 H H35 1 0.00000000 0.27960800 0.50000000 1.0 H H36 1 0.00000000 0.00000000 0.00000000 1.0 H H37 1 0.00000000 0.00000000 0.50000000 1.0