# generated using pymatgen data_Zr6Zn22AsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68186320 _cell_length_b 8.68186312 _cell_length_c 8.68186376 _cell_angle_alpha 60.00000124 _cell_angle_beta 60.00000153 _cell_angle_gamma 60.00000286 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn22AsRu _chemical_formula_sum 'Zr6 Zn22 As1 Ru1' _cell_volume 462.72595427 _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 0.71315768 0.28684232 0.28684232 1.0 Zr Zr1 1 0.28684232 0.71315768 0.71315768 1.0 Zr Zr2 1 0.28684232 0.71315768 0.28684232 1.0 Zr Zr3 1 0.71315768 0.28684232 0.71315768 1.0 Zr Zr4 1 0.28684232 0.28684232 0.71315768 1.0 Zr Zr5 1 0.71315768 0.71315768 0.28684232 1.0 Zn Zn6 1 0.12078653 0.12078653 0.12078653 1.0 Zn Zn7 1 0.87921347 0.87921347 0.87921347 1.0 Zn Zn8 1 0.12078653 0.12078653 0.63764142 1.0 Zn Zn9 1 0.12078653 0.63764142 0.12078653 1.0 Zn Zn10 1 0.87921347 0.87921347 0.36235858 1.0 Zn Zn11 1 0.87921347 0.36235858 0.87921347 1.0 Zn Zn12 1 0.63764142 0.12078653 0.12078653 1.0 Zn Zn13 1 0.36235858 0.87921347 0.87921347 1.0 Zn Zn14 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn15 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn16 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn17 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn18 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn19 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn20 1 0.33315697 0.33315697 0.33315697 1.0 Zn Zn21 1 0.66684303 0.66684303 0.66684303 1.0 Zn Zn22 1 0.33315697 0.33315697 0.00053008 1.0 Zn Zn23 1 0.33315697 0.00053008 0.33315697 1.0 Zn Zn24 1 0.66684303 0.66684303 0.99946992 1.0 Zn Zn25 1 0.66684303 0.99946992 0.66684303 1.0 Zn Zn26 1 0.00053008 0.33315697 0.33315697 1.0 Zn Zn27 1 0.99946992 0.66684303 0.66684303 1.0 As As28 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru29 1 0.00000000 0.00000000 0.00000000 1.0