# generated using pymatgen data_LiSmH6Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04942622 _cell_length_b 7.04942622 _cell_length_c 7.04942622 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSmH6Ir _chemical_formula_sum 'Li4 Sm4 H24 Ir4' _cell_volume 350.31707685 _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 Li Li0 1 0.00000000 0.00000000 0.50000000 1.0 Li Li1 1 0.00000000 0.50000000 0.00000000 1.0 Li Li2 1 0.50000000 0.00000000 0.00000000 1.0 Li Li3 1 0.00000000 0.00000000 0.00000000 1.0 Sm Sm4 1 0.50000000 0.50000000 0.50000000 1.0 Sm Sm5 1 0.00000000 0.50000000 0.50000000 1.0 Sm Sm6 1 0.50000000 0.00000000 0.50000000 1.0 Sm Sm7 1 0.50000000 0.50000000 0.00000000 1.0 H H8 1 0.75728652 0.75728652 0.48761743 1.0 H H9 1 0.24271348 0.24271348 0.48761743 1.0 H H10 1 0.00762144 0.75795180 0.75795180 1.0 H H11 1 0.24204820 0.99237856 0.75795180 1.0 H H12 1 0.75795180 0.00762144 0.75795180 1.0 H H13 1 0.99237856 0.24204820 0.75795180 1.0 H H14 1 0.75728652 0.48761743 0.75728652 1.0 H H15 1 0.48761743 0.75728652 0.75728652 1.0 H H16 1 0.51238257 0.24271348 0.75728652 1.0 H H17 1 0.24271348 0.51238257 0.75728652 1.0 H H18 1 0.24204820 0.75795180 0.99237856 1.0 H H19 1 0.75795180 0.24204820 0.99237856 1.0 H H20 1 0.75795180 0.75795180 0.00762144 1.0 H H21 1 0.24204820 0.24204820 0.00762144 1.0 H H22 1 0.24271348 0.48761743 0.24271348 1.0 H H23 1 0.51238257 0.75728652 0.24271348 1.0 H H24 1 0.48761743 0.24271348 0.24271348 1.0 H H25 1 0.75728652 0.51238257 0.24271348 1.0 H H26 1 0.99237856 0.75795180 0.24204820 1.0 H H27 1 0.75795180 0.99237856 0.24204820 1.0 H H28 1 0.24204820 0.00762144 0.24204820 1.0 H H29 1 0.00762144 0.24204820 0.24204820 1.0 H H30 1 0.24271348 0.75728652 0.51238257 1.0 H H31 1 0.75728652 0.24271348 0.51238257 1.0 Ir Ir32 1 0.24345586 0.75654414 0.75654414 1.0 Ir Ir33 1 0.75654414 0.24345586 0.75654414 1.0 Ir Ir34 1 0.75654414 0.75654414 0.24345586 1.0 Ir Ir35 1 0.24345586 0.24345586 0.24345586 1.0