# generated using pymatgen data_Sm3Al2(Ni2H3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07739123 _cell_length_b 8.07739123 _cell_length_c 8.07739123 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Al2(Ni2H3)3 _chemical_formula_sum 'Sm6 Al4 Ni12 H18' _cell_volume 405.68734875 _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 Sm Sm0 1 0.72867100 0.72867100 0.00000000 1.0 Sm Sm1 1 0.27132900 0.00000000 0.27132900 1.0 Sm Sm2 1 0.00000000 0.27132900 0.27132900 1.0 Sm Sm3 1 0.27132900 0.27132900 0.00000000 1.0 Sm Sm4 1 0.72867100 0.00000000 0.72867100 1.0 Sm Sm5 1 0.00000000 0.72867100 0.72867100 1.0 Al Al6 1 0.00000000 0.00000000 0.50000000 1.0 Al Al7 1 0.00000000 0.50000000 0.00000000 1.0 Al Al8 1 0.50000000 0.00000000 0.00000000 1.0 Al Al9 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni10 1 0.33800300 0.33800300 0.67600700 1.0 Ni Ni11 1 0.66199700 0.00000000 0.33800300 1.0 Ni Ni12 1 0.00000000 0.66199700 0.33800300 1.0 Ni Ni13 1 0.66199700 0.33800300 0.00000000 1.0 Ni Ni14 1 0.33800300 0.67600700 0.33800300 1.0 Ni Ni15 1 0.00000000 0.33800300 0.66199700 1.0 Ni Ni16 1 0.33800300 0.66199700 0.00000000 1.0 Ni Ni17 1 0.33800300 0.00000000 0.66199700 1.0 Ni Ni18 1 0.67600700 0.33800300 0.33800300 1.0 Ni Ni19 1 0.66199700 0.66199700 0.32399300 1.0 Ni Ni20 1 0.66199700 0.32399300 0.66199700 1.0 Ni Ni21 1 0.32399300 0.66199700 0.66199700 1.0 H H22 1 0.00000000 0.00000000 0.72862500 1.0 H H23 1 0.00000000 0.72862500 0.00000000 1.0 H H24 1 0.72862500 0.00000000 0.00000000 1.0 H H25 1 0.27137500 0.27137500 0.27137500 1.0 H H26 1 0.00000000 0.00000000 0.27137500 1.0 H H27 1 0.00000000 0.27137500 0.00000000 1.0 H H28 1 0.27137500 0.00000000 0.00000000 1.0 H H29 1 0.72862500 0.72862500 0.72862500 1.0 H H30 1 0.50000000 0.75000000 0.25000000 1.0 H H31 1 0.25000000 0.75000000 0.50000000 1.0 H H32 1 0.25000000 0.50000000 0.75000000 1.0 H H33 1 0.50000000 0.25000000 0.75000000 1.0 H H34 1 0.75000000 0.50000000 0.25000000 1.0 H H35 1 0.75000000 0.25000000 0.50000000 1.0 H H36 1 0.50000000 0.50000000 0.00000000 1.0 H H37 1 0.50000000 0.00000000 0.50000000 1.0 H H38 1 0.00000000 0.50000000 0.50000000 1.0 H H39 1 0.00000000 0.00000000 0.00000000 1.0