# generated using pymatgen data_Ni11(GeSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61776000 _cell_length_b 3.61776000 _cell_length_c 18.41398400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni11(GeSe2)2 _chemical_formula_sum 'Ni11 Ge2 Se4' _cell_volume 241.00567370 _cell_formula_units_Z 1 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 0.00000000 0.50000000 0.40585300 1.0 Ni Ni1 1 0.50000000 0.00000000 0.90384900 1.0 Ni Ni2 1 0.50000000 0.00000000 0.40585300 1.0 Ni Ni3 1 0.00000000 0.50000000 0.90384900 1.0 Ni Ni4 1 0.50000000 0.00000000 0.09632100 1.0 Ni Ni5 1 0.00000000 0.50000000 0.59658100 1.0 Ni Ni6 1 0.00000000 0.50000000 0.09632100 1.0 Ni Ni7 1 0.50000000 0.00000000 0.59658100 1.0 Ni Ni8 1 0.00000000 0.00000000 0.50108600 1.0 Ni Ni9 1 0.50000000 0.50000000 0.99988800 1.0 Ni Ni10 1 0.50000000 0.50000000 0.30083600 1.0 Ge Ge11 1 0.00000000 0.00000000 0.99977300 1.0 Ge Ge12 1 0.50000000 0.50000000 0.50023600 1.0 Se Se13 1 0.00000000 0.00000000 0.31749700 1.0 Se Se14 1 0.50000000 0.50000000 0.82328100 1.0 Se Se15 1 0.50000000 0.50000000 0.17653600 1.0 Se Se16 1 0.00000000 0.00000000 0.67715800 1.0