# generated using pymatgen data_Cr2(SO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.12585386 _cell_length_b 8.12600902 _cell_length_c 8.70375398 _cell_angle_alpha 62.17073936 _cell_angle_beta 117.82910218 _cell_angle_gamma 120.00269099 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2(SO4)3 _chemical_formula_sum 'Cr4 S6 O24' _cell_volume 419.20371800 _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 Cr Cr0 1 0.34882024 0.65119693 0.04651498 1.0 Cr Cr1 1 0.85622679 0.14380743 0.56869780 1.0 Cr Cr2 1 0.65117531 0.34880505 0.95347845 1.0 Cr Cr3 1 0.14377753 0.85618847 0.43130776 1.0 S S4 1 0.45880858 0.96234547 0.24806785 1.0 S S5 1 0.75158411 0.54118103 0.24805915 1.0 S S6 1 0.03765906 0.24836763 0.24806130 1.0 S S7 1 0.54120204 0.03765699 0.75193534 1.0 S S8 1 0.24841204 0.45880905 0.75193800 1.0 S S9 1 0.96233668 0.75164015 0.75194082 1.0 O O10 1 0.82849937 0.54311943 0.79874681 1.0 O O11 1 0.51329409 0.17152039 0.79869353 1.0 O O12 1 0.45694531 0.48667719 0.79877166 1.0 O O13 1 0.17149968 0.45689182 0.20125173 1.0 O O14 1 0.48671341 0.82847819 0.20131065 1.0 O O15 1 0.54305481 0.51331234 0.20122925 1.0 O O16 1 0.87495327 0.88221331 0.73342367 1.0 O O17 1 0.74068953 0.12508742 0.73343695 1.0 O O18 1 0.11783862 0.25933452 0.73344503 1.0 O O19 1 0.12503667 0.11778232 0.26658140 1.0 O O20 1 0.88216242 0.74064668 0.26655934 1.0 O O21 1 0.25931954 0.87492273 0.26656734 1.0 O O22 1 0.79928958 0.39009823 0.42202153 1.0 O O23 1 0.60990730 0.98733593 0.42199458 1.0 O O24 1 0.01270591 0.20064970 0.42196197 1.0 O O25 1 0.20069794 0.60989422 0.57796311 1.0 O O26 1 0.39009744 0.01266606 0.57800517 1.0 O O27 1 0.98729599 0.79936573 0.57803878 1.0 O O28 1 0.78657640 0.52487376 0.10458186 1.0 O O29 1 0.47503201 0.15708982 0.10450072 1.0 O O30 1 0.84288685 0.21339180 0.10454448 1.0 O O31 1 0.21341591 0.47512742 0.89541662 1.0 O O32 1 0.52497292 0.84290721 0.89550066 1.0 O O33 1 0.15711265 0.78661857 0.89545469 1.0