# generated using pymatgen data_Zr6Ta(Be7Ni4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88379355 _cell_length_b 7.88379344 _cell_length_c 7.88379376 _cell_angle_alpha 60.00000281 _cell_angle_beta 60.00000330 _cell_angle_gamma 59.99999930 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Ta(Be7Ni4)2 _chemical_formula_sum 'Zr6 Ta1 Be14 Ni8' _cell_volume 346.49003940 _cell_formula_units_Z 1 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 0.70725498 0.29274502 0.29274502 1.0 Zr Zr1 1 0.29274502 0.70725498 0.70725498 1.0 Zr Zr2 1 0.29274502 0.70725498 0.29274502 1.0 Zr Zr3 1 0.70725498 0.29274502 0.70725498 1.0 Zr Zr4 1 0.29274502 0.29274502 0.70725498 1.0 Zr Zr5 1 0.70725498 0.70725498 0.29274502 1.0 Ta Ta6 1 0.00000000 0.00000000 0.00000000 1.0 Be Be7 1 0.32290719 0.32290719 0.32290719 1.0 Be Be8 1 0.67709281 0.67709281 0.67709281 1.0 Be Be9 1 0.32290719 0.32290719 0.03127744 1.0 Be Be10 1 0.32290719 0.03127744 0.32290719 1.0 Be Be11 1 0.67709281 0.67709281 0.96872256 1.0 Be Be12 1 0.67709281 0.96872256 0.67709281 1.0 Be Be13 1 0.03127744 0.32290719 0.32290719 1.0 Be Be14 1 0.96872256 0.67709281 0.67709281 1.0 Be Be15 1 0.50000000 0.00000000 0.00000000 1.0 Be Be16 1 0.00000000 0.50000000 0.50000000 1.0 Be Be17 1 0.00000000 0.50000000 0.00000000 1.0 Be Be18 1 0.50000000 0.00000000 0.50000000 1.0 Be Be19 1 0.00000000 0.00000000 0.50000000 1.0 Be Be20 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni21 1 0.12690434 0.12690434 0.12690434 1.0 Ni Ni22 1 0.87309566 0.87309566 0.87309566 1.0 Ni Ni23 1 0.12690434 0.12690434 0.61928698 1.0 Ni Ni24 1 0.12690434 0.61928698 0.12690434 1.0 Ni Ni25 1 0.87309566 0.87309566 0.38071302 1.0 Ni Ni26 1 0.87309566 0.38071302 0.87309566 1.0 Ni Ni27 1 0.61928698 0.12690434 0.12690434 1.0 Ni Ni28 1 0.38071302 0.87309566 0.87309566 1.0