# generated using pymatgen data_Ni11Sn2AsSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65116077 _cell_length_b 3.65116077 _cell_length_c 18.68051961 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni11Sn2AsSe3 _chemical_formula_sum 'Ni11 Sn2 As1 Se3' _cell_volume 249.02953981 _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 0.39944068 1.0 Ni Ni1 1 0.50000000 0.00000000 0.89992969 1.0 Ni Ni2 1 0.50000000 0.00000000 0.39944068 1.0 Ni Ni3 1 0.00000000 0.50000000 0.89992969 1.0 Ni Ni4 1 0.50000000 0.00000000 0.10029668 1.0 Ni Ni5 1 0.00000000 0.50000000 0.60204378 1.0 Ni Ni6 1 0.00000000 0.50000000 0.10029668 1.0 Ni Ni7 1 0.50000000 0.00000000 0.60204378 1.0 Ni Ni8 1 0.00000000 0.00000000 0.50294650 1.0 Ni Ni9 1 0.50000000 0.50000000 0.00027180 1.0 Ni Ni10 1 0.50000000 0.50000000 0.29913241 1.0 Sn Sn11 1 0.00000000 0.00000000 0.00011555 1.0 Sn Sn12 1 0.50000000 0.50000000 0.49965946 1.0 As As13 1 0.00000000 0.00000000 0.31804427 1.0 Se Se14 1 0.50000000 0.50000000 0.82333583 1.0 Se Se15 1 0.50000000 0.50000000 0.17631905 1.0 Se Se16 1 0.00000000 0.00000000 0.67825047 1.0