# generated using pymatgen data_Pa2(Ga3Ru)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54019777 _cell_length_b 7.54019772 _cell_length_c 9.32923672 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.52128929 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2(Ga3Ru)3 _chemical_formula_sum 'Pa4 Ga18 Ru6' _cell_volume 461.54815747 _cell_formula_units_Z 2 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 Pa Pa0 1 0.99914776 0.67208189 0.25000000 1.0 Pa Pa1 1 0.00085224 0.32791811 0.75000000 1.0 Pa Pa2 1 0.67208189 0.99914776 0.25000000 1.0 Pa Pa3 1 0.32791811 0.00085224 0.75000000 1.0 Ga Ga4 1 0.13315443 0.13315443 0.25000000 1.0 Ga Ga5 1 0.86684557 0.86684557 0.75000000 1.0 Ga Ga6 1 0.00686120 0.33676274 0.08106174 1.0 Ga Ga7 1 0.99313880 0.66323726 0.91893826 1.0 Ga Ga8 1 0.99313880 0.66323726 0.58106174 1.0 Ga Ga9 1 0.33676274 0.00686120 0.41893826 1.0 Ga Ga10 1 0.00686120 0.33676274 0.41893826 1.0 Ga Ga11 1 0.66323726 0.99313880 0.58106174 1.0 Ga Ga12 1 0.66323726 0.99313880 0.91893826 1.0 Ga Ga13 1 0.33676274 0.00686120 0.08106174 1.0 Ga Ga14 1 0.33753873 0.33753873 0.56456848 1.0 Ga Ga15 1 0.66246127 0.66246127 0.43543152 1.0 Ga Ga16 1 0.66246127 0.66246127 0.06456848 1.0 Ga Ga17 1 0.33753873 0.33753873 0.93543152 1.0 Ga Ga18 1 0.34034450 0.54751939 0.25000000 1.0 Ga Ga19 1 0.65965550 0.45248061 0.75000000 1.0 Ga Ga20 1 0.54751939 0.34034450 0.25000000 1.0 Ga Ga21 1 0.45248061 0.65965550 0.75000000 1.0 Ru Ru22 1 0.67478367 0.32521633 0.00000000 1.0 Ru Ru23 1 0.32521633 0.67478367 0.00000000 1.0 Ru Ru24 1 0.32521633 0.67478367 0.50000000 1.0 Ru Ru25 1 0.67478367 0.32521633 0.50000000 1.0 Ru Ru26 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru27 1 0.00000000 0.00000000 0.50000000 1.0