# generated using pymatgen data_Zr3SiAs2Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63962968 _cell_length_b 6.63963024 _cell_length_c 3.81313591 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000691 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3SiAs2Ru3 _chemical_formula_sum 'Zr3 Si1 As2 Ru3' _cell_volume 145.57963887 _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 0.41501251 0.41501251 0.50000000 1.0 Zr Zr1 1 0.58498749 1.00000000 0.50000000 1.0 Zr Zr2 1 1.00000000 0.58498749 0.50000000 1.0 Si Si3 1 0.00000000 0.00000000 0.50000000 1.0 As As4 1 0.66666700 0.33333300 0.00000000 1.0 As As5 1 0.33333300 0.66666700 0.00000000 1.0 Ru Ru6 1 1.00000000 0.23922416 0.00000000 1.0 Ru Ru7 1 0.23922416 1.00000000 0.00000000 1.0 Ru Ru8 1 0.76077584 0.76077584 0.00000000 1.0