# generated using pymatgen data_CrAsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98715700 _cell_length_b 6.06045200 _cell_length_c 7.31609500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAsRu _chemical_formula_sum 'Cr4 As4 Ru4' _cell_volume 176.78592654 _cell_formula_units_Z 4 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 Cr Cr0 1 0.75000000 0.96674600 0.30759000 1.0 Cr Cr1 1 0.25000000 0.03325400 0.69241000 1.0 Cr Cr2 1 0.25000000 0.53325400 0.80759000 1.0 Cr Cr3 1 0.75000000 0.46674600 0.19241000 1.0 As As4 1 0.75000000 0.74835400 0.61845800 1.0 As As5 1 0.25000000 0.25164600 0.38154200 1.0 As As6 1 0.25000000 0.75164600 0.11845800 1.0 As As7 1 0.75000000 0.24835400 0.88154200 1.0 Ru Ru8 1 0.75000000 0.84286700 0.94082900 1.0 Ru Ru9 1 0.25000000 0.15713300 0.05917100 1.0 Ru Ru10 1 0.25000000 0.65713300 0.44082900 1.0 Ru Ru11 1 0.75000000 0.34286700 0.55917100 1.0