# generated using pymatgen data_NiSeO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40983800 _cell_length_b 6.40983800 _cell_length_c 15.34109500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSeO10 _chemical_formula_sum 'Ni4 Se4 O40' _cell_volume 630.30458487 _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 0.71583900 0.28416100 0.75000000 1.0 Ni Ni1 1 0.28416100 0.71583900 0.25000000 1.0 Ni Ni2 1 0.78416100 0.78416100 0.50000000 1.0 Ni Ni3 1 0.21583900 0.21583900 0.00000000 1.0 Se Se4 1 0.20924700 0.79075300 0.75000000 1.0 Se Se5 1 0.79075300 0.20924700 0.25000000 1.0 Se Se6 1 0.29075300 0.29075300 0.50000000 1.0 Se Se7 1 0.70924700 0.70924700 0.00000000 1.0 O O8 1 0.68689000 0.51989900 0.68201700 1.0 O O9 1 0.31311000 0.48010100 0.18201700 1.0 O O10 1 0.01989900 0.81311000 0.43201700 1.0 O O11 1 0.98010100 0.18689000 0.93201700 1.0 O O12 1 0.48010100 0.31311000 0.81798300 1.0 O O13 1 0.51989900 0.68689000 0.31798300 1.0 O O14 1 0.81311000 0.01989900 0.56798300 1.0 O O15 1 0.18689000 0.98010100 0.06798300 1.0 O O16 1 0.95306000 0.27544500 0.68677000 1.0 O O17 1 0.04694000 0.72455500 0.18677000 1.0 O O18 1 0.77544500 0.54694000 0.43677000 1.0 O O19 1 0.22455500 0.45306000 0.93677000 1.0 O O20 1 0.72455500 0.04694000 0.81323000 1.0 O O21 1 0.27544500 0.95306000 0.31323000 1.0 O O22 1 0.54694000 0.77544500 0.56323000 1.0 O O23 1 0.45306000 0.22455500 0.06323000 1.0 O O24 1 0.57141900 0.13825000 0.66308000 1.0 O O25 1 0.42858100 0.86175000 0.16308000 1.0 O O26 1 0.63825000 0.92858100 0.41308000 1.0 O O27 1 0.36175000 0.07141900 0.91308000 1.0 O O28 1 0.86175000 0.42858100 0.83692000 1.0 O O29 1 0.13825000 0.57141900 0.33692000 1.0 O O30 1 0.92858100 0.63825000 0.58692000 1.0 O O31 1 0.07141900 0.36175000 0.08692000 1.0 O O32 1 0.10060600 0.89572600 0.65919100 1.0 O O33 1 0.89939400 0.10427400 0.15919100 1.0 O O34 1 0.39572600 0.39939400 0.40919100 1.0 O O35 1 0.60427400 0.60060600 0.90919100 1.0 O O36 1 0.10427400 0.89939400 0.84080900 1.0 O O37 1 0.89572600 0.10060600 0.34080900 1.0 O O38 1 0.39939400 0.39572600 0.59080900 1.0 O O39 1 0.60060600 0.60427400 0.09080900 1.0 O O40 1 0.46960600 0.82857000 0.74290400 1.0 O O41 1 0.53039400 0.17143000 0.24290400 1.0 O O42 1 0.32857000 0.03039400 0.49290400 1.0 O O43 1 0.67143000 0.96960600 0.99290400 1.0 O O44 1 0.17143000 0.53039400 0.75709600 1.0 O O45 1 0.82857000 0.46960600 0.25709600 1.0 O O46 1 0.03039400 0.32857000 0.50709600 1.0 O O47 1 0.96960600 0.67143000 0.00709600 1.0