# generated using pymatgen data_Ni4Se3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01368900 _cell_length_b 10.11648300 _cell_length_c 8.36611400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4Se3N2 _chemical_formula_sum 'Ni16 Se12 N8' _cell_volume 508.97247776 _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 0.45737900 0.25000000 0.83283400 1.0 Ni Ni1 1 0.95737900 0.25000000 0.66716600 1.0 Ni Ni2 1 0.54262100 0.75000000 0.16716600 1.0 Ni Ni3 1 0.04262100 0.75000000 0.33283400 1.0 Ni Ni4 1 0.77785200 0.25000000 0.40776100 1.0 Ni Ni5 1 0.27785200 0.25000000 0.09223900 1.0 Ni Ni6 1 0.22214800 0.75000000 0.59223900 1.0 Ni Ni7 1 0.72214800 0.75000000 0.90776100 1.0 Ni Ni8 1 0.70529300 0.45793000 0.06820200 1.0 Ni Ni9 1 0.20529300 0.04207000 0.43179800 1.0 Ni Ni10 1 0.29470700 0.95793000 0.93179800 1.0 Ni Ni11 1 0.79470700 0.54207000 0.56820200 1.0 Ni Ni12 1 0.29470700 0.54207000 0.93179800 1.0 Ni Ni13 1 0.79470700 0.95793000 0.56820200 1.0 Ni Ni14 1 0.70529300 0.04207000 0.06820200 1.0 Ni Ni15 1 0.20529300 0.45793000 0.43179800 1.0 Se Se16 1 0.88019800 0.25000000 0.14505500 1.0 Se Se17 1 0.38019800 0.25000000 0.35494500 1.0 Se Se18 1 0.11980200 0.75000000 0.85494500 1.0 Se Se19 1 0.61980200 0.75000000 0.64505500 1.0 Se Se20 1 0.56220500 0.55630500 0.32551100 1.0 Se Se21 1 0.06220500 0.94369500 0.17448900 1.0 Se Se22 1 0.43779500 0.05630500 0.67448900 1.0 Se Se23 1 0.93779500 0.44369500 0.82551100 1.0 Se Se24 1 0.43779500 0.44369500 0.67448900 1.0 Se Se25 1 0.93779500 0.05630500 0.82551100 1.0 Se Se26 1 0.56220500 0.94369500 0.32551100 1.0 Se Se27 1 0.06220500 0.55630500 0.17448900 1.0 N N28 1 0.56181000 0.61993800 0.00755900 1.0 N N29 1 0.06181000 0.88006200 0.49244100 1.0 N N30 1 0.43819000 0.11993800 0.99244100 1.0 N N31 1 0.93819000 0.38006200 0.50755900 1.0 N N32 1 0.43819000 0.38006200 0.99244100 1.0 N N33 1 0.93819000 0.11993800 0.50755900 1.0 N N34 1 0.56181000 0.88006200 0.00755900 1.0 N N35 1 0.06181000 0.61993800 0.49244100 1.0