# generated using pymatgen data_Th6Mn23H44 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.48078873 _cell_length_b 9.48078873 _cell_length_c 9.48078873 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th6Mn23H44 _chemical_formula_sum 'Th6 Mn23 H44' _cell_volume 602.58512721 _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 Th Th0 1 0.70638600 0.70638600 0.29361400 1.0 Th Th1 1 0.29361400 0.29361400 0.70638600 1.0 Th Th2 1 0.70638600 0.29361400 0.70638600 1.0 Th Th3 1 0.29361400 0.70638600 0.29361400 1.0 Th Th4 1 0.29361400 0.70638600 0.70638600 1.0 Th Th5 1 0.70638600 0.29361400 0.29361400 1.0 Mn Mn6 1 0.87222900 0.87222900 0.87222900 1.0 Mn Mn7 1 0.12777100 0.12777100 0.12777100 1.0 Mn Mn8 1 0.38331200 0.87222900 0.87222900 1.0 Mn Mn9 1 0.87222900 0.38331200 0.87222900 1.0 Mn Mn10 1 0.61668800 0.12777100 0.12777100 1.0 Mn Mn11 1 0.12777100 0.61668800 0.12777100 1.0 Mn Mn12 1 0.87222900 0.87222900 0.38331200 1.0 Mn Mn13 1 0.12777100 0.12777100 0.61668800 1.0 Mn Mn14 1 0.68522400 0.68522400 0.68522400 1.0 Mn Mn15 1 0.31477600 0.31477600 0.31477600 1.0 Mn Mn16 1 0.94432800 0.68522400 0.68522400 1.0 Mn Mn17 1 0.68522400 0.94432800 0.68522400 1.0 Mn Mn18 1 0.05567200 0.31477600 0.31477600 1.0 Mn Mn19 1 0.31477600 0.05567200 0.31477600 1.0 Mn Mn20 1 0.68522400 0.68522400 0.94432800 1.0 Mn Mn21 1 0.31477600 0.31477600 0.05567200 1.0 Mn Mn22 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn23 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn24 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn25 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn26 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn27 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn28 1 0.00000000 0.50000000 0.50000000 1.0 H H29 1 0.00000000 0.00000000 0.69187800 1.0 H H30 1 0.00000000 0.00000000 0.30812200 1.0 H H31 1 0.30812200 0.69187800 0.00000000 1.0 H H32 1 0.69187800 0.30812200 0.00000000 1.0 H H33 1 0.00000000 0.69187800 0.00000000 1.0 H H34 1 0.69187800 0.00000000 0.30812200 1.0 H H35 1 0.00000000 0.30812200 0.00000000 1.0 H H36 1 0.30812200 0.00000000 0.69187800 1.0 H H37 1 0.69187800 0.00000000 0.00000000 1.0 H H38 1 0.30812200 0.00000000 0.00000000 1.0 H H39 1 0.00000000 0.69187800 0.30812200 1.0 H H40 1 0.00000000 0.30812200 0.69187800 1.0 H H41 1 0.09456300 0.56151400 0.56151400 1.0 H H42 1 0.90543700 0.43848600 0.43848600 1.0 H H43 1 0.78240800 0.56151400 0.56151400 1.0 H H44 1 0.56151400 0.78240800 0.09456300 1.0 H H45 1 0.56151400 0.56151400 0.09456300 1.0 H H46 1 0.21759200 0.43848600 0.43848600 1.0 H H47 1 0.43848600 0.21759200 0.90543700 1.0 H H48 1 0.43848600 0.43848600 0.90543700 1.0 H H49 1 0.56151400 0.09456300 0.78240800 1.0 H H50 1 0.56151400 0.56151400 0.78240800 1.0 H H51 1 0.43848600 0.90543700 0.21759200 1.0 H H52 1 0.43848600 0.43848600 0.21759200 1.0 H H53 1 0.78240800 0.09456300 0.56151400 1.0 H H54 1 0.21759200 0.90543700 0.43848600 1.0 H H55 1 0.09456300 0.78240800 0.56151400 1.0 H H56 1 0.90543700 0.21759200 0.43848600 1.0 H H57 1 0.56151400 0.09456300 0.56151400 1.0 H H58 1 0.21759200 0.43848600 0.90543700 1.0 H H59 1 0.43848600 0.90543700 0.43848600 1.0 H H60 1 0.78240800 0.56151400 0.09456300 1.0 H H61 1 0.09456300 0.56151400 0.78240800 1.0 H H62 1 0.90543700 0.43848600 0.21759200 1.0 H H63 1 0.43848600 0.21759200 0.43848600 1.0 H H64 1 0.56151400 0.78240800 0.56151400 1.0 H H65 1 0.56465500 0.56465500 0.56465500 1.0 H H66 1 0.43534500 0.43534500 0.43534500 1.0 H H67 1 0.30603400 0.56465500 0.56465500 1.0 H H68 1 0.56465500 0.30603400 0.56465500 1.0 H H69 1 0.69396600 0.43534500 0.43534500 1.0 H H70 1 0.43534500 0.69396600 0.43534500 1.0 H H71 1 0.56465500 0.56465500 0.30603400 1.0 H H72 1 0.43534500 0.43534500 0.69396600 1.0