# generated using pymatgen data_NiSO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36276700 _cell_length_b 6.36276700 _cell_length_c 15.96614100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSO10 _chemical_formula_sum 'Ni4 S4 O40' _cell_volume 646.38608737 _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 Ni Ni0 1 0.21526600 0.78473400 0.75000000 1.0 Ni Ni1 1 0.78473400 0.21526600 0.25000000 1.0 Ni Ni2 1 0.28473400 0.28473400 0.50000000 1.0 Ni Ni3 1 0.71526600 0.71526600 0.00000000 1.0 S S4 1 0.71225800 0.28774200 0.75000000 1.0 S S5 1 0.28774200 0.71225800 0.25000000 1.0 S S6 1 0.78774200 0.78774200 0.50000000 1.0 S S7 1 0.21225800 0.21225800 0.00000000 1.0 O O8 1 0.60979200 0.38227200 0.67413400 1.0 O O9 1 0.39020800 0.61772800 0.17413400 1.0 O O10 1 0.88227200 0.89020800 0.42413400 1.0 O O11 1 0.11772800 0.10979200 0.92413400 1.0 O O12 1 0.61772800 0.39020800 0.82586600 1.0 O O13 1 0.38227200 0.60979200 0.32586600 1.0 O O14 1 0.89020800 0.88227200 0.57586600 1.0 O O15 1 0.10979200 0.11772800 0.07586600 1.0 O O16 1 0.94280300 0.32492900 0.74538300 1.0 O O17 1 0.05719700 0.67507100 0.24538300 1.0 O O18 1 0.82492900 0.55719700 0.49538300 1.0 O O19 1 0.17507100 0.44280300 0.99538300 1.0 O O20 1 0.67507100 0.05719700 0.75461700 1.0 O O21 1 0.32492900 0.94280300 0.25461700 1.0 O O22 1 0.55719700 0.82492900 0.50461700 1.0 O O23 1 0.44280300 0.17507100 0.00461700 1.0 O O24 1 0.19892900 0.02842600 0.68717500 1.0 O O25 1 0.80107100 0.97157400 0.18717500 1.0 O O26 1 0.52842600 0.30107100 0.43717500 1.0 O O27 1 0.47157400 0.69892900 0.93717500 1.0 O O28 1 0.97157400 0.80107100 0.81282500 1.0 O O29 1 0.02842600 0.19892900 0.31282500 1.0 O O30 1 0.30107100 0.52842600 0.56282500 1.0 O O31 1 0.69892900 0.47157400 0.06282500 1.0 O O32 1 0.44388600 0.77730500 0.68231000 1.0 O O33 1 0.55611400 0.22269500 0.18231000 1.0 O O34 1 0.27730500 0.05611400 0.43231000 1.0 O O35 1 0.72269500 0.94388600 0.93231000 1.0 O O36 1 0.22269500 0.55611400 0.81769000 1.0 O O37 1 0.77730500 0.44388600 0.31769000 1.0 O O38 1 0.05611400 0.27730500 0.56769000 1.0 O O39 1 0.94388600 0.72269500 0.06769000 1.0 O O40 1 0.07185300 0.64459000 0.66522100 1.0 O O41 1 0.92814700 0.35541000 0.16522100 1.0 O O42 1 0.14459000 0.42814700 0.41522100 1.0 O O43 1 0.85541000 0.57185300 0.91522100 1.0 O O44 1 0.35541000 0.92814700 0.83477900 1.0 O O45 1 0.64459000 0.07185300 0.33477900 1.0 O O46 1 0.42814700 0.14459000 0.58477900 1.0 O O47 1 0.57185300 0.85541000 0.08477900 1.0