# generated using pymatgen data_Zr4As6Ru7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04820753 _cell_length_b 7.04820707 _cell_length_c 7.04820702 _cell_angle_alpha 109.47122609 _cell_angle_beta 109.47122475 _cell_angle_gamma 109.47121390 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4As6Ru7 _chemical_formula_sum 'Zr4 As6 Ru7' _cell_volume 269.53432705 _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 0.00000000 0.00000000 0.50000000 1.0 Zr Zr1 1 0.50000000 0.00000000 0.00000000 1.0 Zr Zr2 1 0.00000000 0.50000000 0.00000000 1.0 Zr Zr3 1 0.50000000 0.50000000 0.50000000 1.0 As As4 1 0.31417963 0.00000000 0.31417963 1.0 As As5 1 0.00000000 0.31417963 0.31417963 1.0 As As6 1 1.00000000 0.68582037 0.68582037 1.0 As As7 1 0.31417963 0.31417963 0.00000000 1.0 As As8 1 0.68582037 0.68582037 1.00000000 1.0 As As9 1 0.68582037 1.00000000 0.68582037 1.0 Ru Ru10 1 0.75000000 0.50000000 0.25000000 1.0 Ru Ru11 1 0.50000000 0.75000000 0.25000000 1.0 Ru Ru12 1 0.50000000 0.25000000 0.75000000 1.0 Ru Ru13 1 0.75000000 0.25000000 0.50000000 1.0 Ru Ru14 1 0.25000000 0.75000000 0.50000000 1.0 Ru Ru15 1 0.25000000 0.50000000 0.75000000 1.0 Ru Ru16 1 0.00000000 0.00000000 0.00000000 1.0