# generated using pymatgen data_Zr6Al2CoH10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13331800 _cell_length_b 8.13331800 _cell_length_c 7.13059200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999996 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al2CoH10 _chemical_formula_sum 'Zr12 Al4 Co2 H20' _cell_volume 408.49968380 _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 0.73775000 0.00000000 0.50000000 1.0 Zr Zr1 1 0.26225000 0.26225000 0.00000000 1.0 Zr Zr2 1 0.00000000 0.73775000 0.00000000 1.0 Zr Zr3 1 0.00000000 0.73775000 0.50000000 1.0 Zr Zr4 1 0.26225000 0.26225000 0.50000000 1.0 Zr Zr5 1 0.73775000 0.00000000 0.00000000 1.0 Zr Zr6 1 0.04866200 0.42285900 0.75000000 1.0 Zr Zr7 1 0.57714100 0.62580300 0.75000000 1.0 Zr Zr8 1 0.37419700 0.95133800 0.75000000 1.0 Zr Zr9 1 0.95133800 0.37419700 0.25000000 1.0 Zr Zr10 1 0.62580300 0.57714100 0.25000000 1.0 Zr Zr11 1 0.42285900 0.04866200 0.25000000 1.0 Al Al12 1 0.66666700 0.33333300 0.55245300 1.0 Al Al13 1 0.66666700 0.33333300 0.94754700 1.0 Al Al14 1 0.33333300 0.66666700 0.44754700 1.0 Al Al15 1 0.33333300 0.66666700 0.05245300 1.0 Co Co16 1 0.00000000 0.00000000 0.75000000 1.0 Co Co17 1 0.00000000 0.00000000 0.25000000 1.0 H H18 1 0.00000000 0.00000000 0.50000000 1.0 H H19 1 0.00000000 0.00000000 0.00000000 1.0 H H20 1 0.27874000 0.00000000 0.50000000 1.0 H H21 1 0.72126000 0.72126000 0.00000000 1.0 H H22 1 0.00000000 0.27874000 0.00000000 1.0 H H23 1 0.00000000 0.27874000 0.50000000 1.0 H H24 1 0.72126000 0.72126000 0.50000000 1.0 H H25 1 0.27874000 0.00000000 0.00000000 1.0 H H26 1 0.29480800 0.41010900 0.75000000 1.0 H H27 1 0.58989100 0.88469900 0.75000000 1.0 H H28 1 0.11530100 0.70519200 0.75000000 1.0 H H29 1 0.70519200 0.11530100 0.25000000 1.0 H H30 1 0.88469900 0.58989100 0.25000000 1.0 H H31 1 0.41010900 0.29480800 0.25000000 1.0 H H32 1 0.23471600 0.11554900 0.75000000 1.0 H H33 1 0.88445100 0.11916700 0.75000000 1.0 H H34 1 0.88083300 0.76528400 0.75000000 1.0 H H35 1 0.76528400 0.88083300 0.25000000 1.0 H H36 1 0.11554900 0.23471600 0.25000000 1.0 H H37 1 0.11916700 0.88445100 0.25000000 1.0