# generated using pymatgen data_Ni3Se3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17532100 _cell_length_b 8.21681301 _cell_length_c 8.31019326 _cell_angle_alpha 61.59011616 _cell_angle_beta 70.62073034 _cell_angle_gamma 68.05228370 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3Se3O10 _chemical_formula_sum 'Ni6 Se6 O20' _cell_volume 447.23483589 _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 Ni Ni0 1 0.86902300 0.71236600 0.39621500 1.0 Ni Ni1 1 0.13097700 0.28763400 0.60378500 1.0 Ni Ni2 1 0.96955500 0.34076700 0.21003400 1.0 Ni Ni3 1 0.03044500 0.65923300 0.78996600 1.0 Ni Ni4 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni5 1 0.00000000 0.00000000 0.00000000 1.0 Se Se6 1 0.23472100 0.57184600 0.23016000 1.0 Se Se7 1 0.76527900 0.42815400 0.76984000 1.0 Se Se8 1 0.32650700 0.20028800 0.94879700 1.0 Se Se9 1 0.67349300 0.79971200 0.05120300 1.0 Se Se10 1 0.32442800 0.83028400 0.69269000 1.0 Se Se11 1 0.67557200 0.16971600 0.30731000 1.0 O O12 1 0.71537300 0.30602800 0.38964200 1.0 O O13 1 0.28462700 0.69397200 0.61035800 1.0 O O14 1 0.26752300 0.06318500 0.53007000 1.0 O O15 1 0.73247700 0.93681500 0.46993000 1.0 O O16 1 0.21380800 0.13075900 0.85563700 1.0 O O17 1 0.78619200 0.86924100 0.14436300 1.0 O O18 1 0.48603500 0.28780800 0.76741500 1.0 O O19 1 0.51396500 0.71219200 0.23258500 1.0 O O20 1 0.13413300 0.80916100 0.87294900 1.0 O O21 1 0.86586700 0.19083900 0.12705100 1.0 O O22 1 0.89395100 0.21006200 0.76098700 1.0 O O23 1 0.10604900 0.78993800 0.23901300 1.0 O O24 1 0.87721000 0.90764500 0.68182000 1.0 O O25 1 0.12279000 0.09235500 0.31818000 1.0 O O26 1 0.31371200 0.44243500 0.43879500 1.0 O O27 1 0.68628800 0.55756500 0.56120500 1.0 O O28 1 0.16887500 0.40439700 0.97677500 1.0 O O29 1 0.83112500 0.59560300 0.02322500 1.0 O O30 1 0.04934400 0.46572300 0.33133700 1.0 O O31 1 0.95065600 0.53427700 0.66866300 1.0