# generated using pymatgen data_Li3Sm2Ni9As7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88138653 _cell_length_b 9.44134250 _cell_length_c 9.44134077 _cell_angle_alpha 119.99999740 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Sm2Ni9As7 _chemical_formula_sum 'Li3 Sm2 Ni9 As7' _cell_volume 299.62977201 _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 Li Li0 1 0.50000000 0.78982200 0.89112259 1.0 Li Li1 1 0.50000000 0.10130159 0.21017800 1.0 Li Li2 1 0.50000000 0.10887741 0.89869841 1.0 Sm Sm3 1 0.00000000 0.66666700 0.33333300 1.0 Sm Sm4 1 0.50000000 0.33333300 0.66666700 1.0 Ni Ni5 1 0.00000000 0.57189857 0.94429729 1.0 Ni Ni6 1 0.00000000 0.37239772 0.42810143 1.0 Ni Ni7 1 0.00000000 0.05570271 0.62760228 1.0 Ni Ni8 1 0.00000000 0.87405147 0.15895293 1.0 Ni Ni9 1 0.00000000 0.28490246 0.12594853 1.0 Ni Ni10 1 0.00000000 0.84104707 0.71509754 1.0 Ni Ni11 1 0.50000000 0.95344252 0.39040563 1.0 Ni Ni12 1 0.50000000 0.43696211 0.04655748 1.0 Ni Ni13 1 0.50000000 0.60959437 0.56303789 1.0 As As14 1 0.50000000 0.71180674 0.11559304 1.0 As As15 1 0.50000000 0.40378730 0.28819326 1.0 As As16 1 0.50000000 0.88440696 0.59621270 1.0 As As17 1 0.00000000 0.00000000 0.00000000 1.0 As As18 1 0.00000000 0.58972924 0.69919071 1.0 As As19 1 0.00000000 0.10946047 0.41027076 1.0 As As20 1 0.00000000 0.30080929 0.89053953 1.0