# generated using pymatgen data_Zr2Nb8Al5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.08944511 _cell_length_b 10.08944511 _cell_length_c 5.25211054 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Nb8Al5 _chemical_formula_sum 'Zr4 Nb16 Al10' _cell_volume 534.64858589 _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 0.39440299 0.39440299 0.00000000 1.0 Zr Zr1 1 0.89440299 0.10559701 0.50000000 1.0 Zr Zr2 1 0.10559701 0.89440299 0.50000000 1.0 Zr Zr3 1 0.60559701 0.60559701 0.00000000 1.0 Nb Nb4 1 0.12587860 0.46562645 0.00000000 1.0 Nb Nb5 1 0.96562645 0.37412140 0.50000000 1.0 Nb Nb6 1 0.03437355 0.62587860 0.50000000 1.0 Nb Nb7 1 0.87412140 0.53437355 0.00000000 1.0 Nb Nb8 1 0.37412140 0.96562645 0.50000000 1.0 Nb Nb9 1 0.62587860 0.03437355 0.50000000 1.0 Nb Nb10 1 0.46562645 0.12587860 0.00000000 1.0 Nb Nb11 1 0.53437355 0.87412140 0.00000000 1.0 Nb Nb12 1 0.18171304 0.18171304 0.25303309 1.0 Nb Nb13 1 0.68171304 0.31828696 0.75303309 1.0 Nb Nb14 1 0.31828696 0.68171304 0.75303309 1.0 Nb Nb15 1 0.81828696 0.81828696 0.25303309 1.0 Nb Nb16 1 0.31828696 0.68171304 0.24696691 1.0 Nb Nb17 1 0.68171304 0.31828696 0.24696691 1.0 Nb Nb18 1 0.18171304 0.18171304 0.74696691 1.0 Nb Nb19 1 0.81828696 0.81828696 0.74696691 1.0 Al Al20 1 0.00000000 0.00000000 0.00000000 1.0 Al Al21 1 0.50000000 0.50000000 0.50000000 1.0 Al Al22 1 0.26401718 0.93353318 0.00000000 1.0 Al Al23 1 0.43353318 0.23598282 0.50000000 1.0 Al Al24 1 0.56646682 0.76401718 0.50000000 1.0 Al Al25 1 0.73598282 0.06646682 0.00000000 1.0 Al Al26 1 0.23598282 0.43353318 0.50000000 1.0 Al Al27 1 0.76401718 0.56646682 0.50000000 1.0 Al Al28 1 0.93353318 0.26401718 0.00000000 1.0 Al Al29 1 0.06646682 0.73598282 0.00000000 1.0