# generated using pymatgen data_Th8Al4H11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69809600 _cell_length_b 7.69809600 _cell_length_c 19.02401100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th8Al4H11 _chemical_formula_sum 'Th24 Al12 H33' _cell_volume 1127.37586672 _cell_formula_units_Z 3 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 Th Th0 1 0.33625400 0.33625400 0.24935500 1.0 Th Th1 1 0.66374600 0.66374600 0.24935500 1.0 Th Th2 1 0.66374600 0.33625400 0.75064500 1.0 Th Th3 1 0.33625400 0.66374600 0.75064500 1.0 Th Th4 1 0.83704400 0.83704400 0.74666300 1.0 Th Th5 1 0.16295600 0.16295600 0.74666300 1.0 Th Th6 1 0.16295600 0.83704400 0.25333700 1.0 Th Th7 1 0.83704400 0.16295600 0.25333700 1.0 Th Th8 1 0.83984800 0.83984800 0.08451500 1.0 Th Th9 1 0.16015200 0.16015200 0.08451500 1.0 Th Th10 1 0.16015200 0.83984800 0.91548500 1.0 Th Th11 1 0.83984800 0.16015200 0.91548500 1.0 Th Th12 1 0.33860900 0.33860900 0.58374800 1.0 Th Th13 1 0.66139100 0.66139100 0.58374800 1.0 Th Th14 1 0.66139100 0.33860900 0.41625200 1.0 Th Th15 1 0.33860900 0.66139100 0.41625200 1.0 Th Th16 1 0.33207800 0.33207800 0.91647000 1.0 Th Th17 1 0.66792200 0.66792200 0.91647000 1.0 Th Th18 1 0.66792200 0.33207800 0.08353000 1.0 Th Th19 1 0.33207800 0.66792200 0.08353000 1.0 Th Th20 1 0.83198600 0.83198600 0.41631300 1.0 Th Th21 1 0.16801400 0.16801400 0.41631300 1.0 Th Th22 1 0.16801400 0.83198600 0.58368700 1.0 Th Th23 1 0.83198600 0.16801400 0.58368700 1.0 Al Al24 1 0.50000000 0.00000000 0.33322100 1.0 Al Al25 1 0.50000000 0.00000000 0.66677900 1.0 Al Al26 1 0.00000000 0.50000000 0.66677900 1.0 Al Al27 1 0.00000000 0.50000000 0.33322100 1.0 Al Al28 1 0.50000000 0.00000000 0.16760000 1.0 Al Al29 1 0.50000000 0.00000000 0.83240000 1.0 Al Al30 1 0.00000000 0.50000000 0.83240000 1.0 Al Al31 1 0.00000000 0.50000000 0.16760000 1.0 Al Al32 1 0.00000000 0.50000000 0.00000000 1.0 Al Al33 1 0.50000000 0.00000000 0.00000000 1.0 Al Al34 1 0.00000000 0.50000000 0.50000000 1.0 Al Al35 1 0.50000000 0.00000000 0.50000000 1.0 H H36 1 0.37116300 0.37116300 0.36732800 1.0 H H37 1 0.62883700 0.62883700 0.36732800 1.0 H H38 1 0.62883700 0.37116300 0.63267200 1.0 H H39 1 0.37116300 0.62883700 0.63267200 1.0 H H40 1 0.37246200 0.37246200 0.12307300 1.0 H H41 1 0.62753800 0.62753800 0.12307300 1.0 H H42 1 0.62753800 0.37246200 0.87692700 1.0 H H43 1 0.37246200 0.62753800 0.87692700 1.0 H H44 1 0.37234100 0.37234100 0.70854000 1.0 H H45 1 0.62765900 0.62765900 0.70854000 1.0 H H46 1 0.62765900 0.37234100 0.29146000 1.0 H H47 1 0.37234100 0.62765900 0.29146000 1.0 H H48 1 0.37185400 0.37185400 0.46606900 1.0 H H49 1 0.62814600 0.62814600 0.46606900 1.0 H H50 1 0.62814600 0.37185400 0.53393100 1.0 H H51 1 0.37185400 0.62814600 0.53393100 1.0 H H52 1 0.86783000 0.86783000 0.86490700 1.0 H H53 1 0.13217000 0.13217000 0.86490700 1.0 H H54 1 0.13217000 0.86783000 0.13509300 1.0 H H55 1 0.86783000 0.13217000 0.13509300 1.0 H H56 1 0.87315600 0.87315600 0.62037700 1.0 H H57 1 0.12684400 0.12684400 0.62037700 1.0 H H58 1 0.12684400 0.87315600 0.37962300 1.0 H H59 1 0.87315600 0.12684400 0.37962300 1.0 H H60 1 0.87311600 0.87311600 0.21057900 1.0 H H61 1 0.12688400 0.12688400 0.21057900 1.0 H H62 1 0.12688400 0.87311600 0.78942100 1.0 H H63 1 0.87311600 0.12688400 0.78942100 1.0 H H64 1 0.86984300 0.86984300 0.96573500 1.0 H H65 1 0.13015700 0.13015700 0.96573500 1.0 H H66 1 0.13015700 0.86984300 0.03426500 1.0 H H67 1 0.86984300 0.13015700 0.03426500 1.0 H H68 1 0.50000000 0.50000000 0.00000000 1.0