# CIF generated by HEAS from Alexandria entry agm071387751 data_agm071387751 _cell_length_a 12.80729 _cell_length_b 12.80729 _cell_length_c 12.80729 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 2100.73965 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Th1 Th 0.12500 0.12500 0.12500 1.00000 Th2 Th 0.37500 0.87500 0.62500 1.00000 Th3 Th 0.87500 0.62500 0.37500 1.00000 Th4 Th 0.62500 0.37500 0.87500 1.00000 H1 H 0.12500 0.74672 0.50328 1.00000 H2 H 0.37500 0.25328 0.00328 1.00000 H3 H 0.87500 0.24672 0.99672 1.00000 H4 H 0.62500 0.75328 0.49672 1.00000 H5 H 0.50328 0.12500 0.74672 1.00000 H6 H 0.00328 0.37500 0.25328 1.00000 H7 H 0.99672 0.87500 0.24672 1.00000 H8 H 0.49672 0.62500 0.75328 1.00000 H9 H 0.74672 0.50328 0.12500 1.00000 H10 H 0.25328 0.00328 0.37500 1.00000 H11 H 0.24672 0.99672 0.87500 1.00000 H12 H 0.75328 0.49672 0.62500 1.00000 I1 I 0.39776 0.11796 0.63814 1.00000 I2 I 0.10224 0.88204 0.13814 1.00000 I3 I 0.60224 0.61796 0.86186 1.00000 I4 I 0.89776 0.38204 0.36186 1.00000 I5 I 0.63814 0.39776 0.11796 1.00000 I6 I 0.13814 0.10224 0.88204 1.00000 I7 I 0.86186 0.60224 0.61796 1.00000 I8 I 0.36186 0.89776 0.38204 1.00000 I9 I 0.11796 0.63814 0.39776 1.00000 I10 I 0.88204 0.13814 0.10224 1.00000 I11 I 0.61796 0.86186 0.60224 1.00000 I12 I 0.38204 0.36186 0.89776 1.00000 I13 I 0.36796 0.14776 0.11186 1.00000 I14 I 0.13204 0.85224 0.61186 1.00000 I15 I 0.86796 0.35224 0.88814 1.00000 I16 I 0.63204 0.64776 0.38814 1.00000 I17 I 0.64776 0.38814 0.63204 1.00000 I18 I 0.35224 0.88814 0.86796 1.00000 I19 I 0.85224 0.61186 0.13204 1.00000 I20 I 0.14776 0.11186 0.36796 1.00000 I21 I 0.88814 0.86796 0.35224 1.00000 I22 I 0.38814 0.63204 0.64776 1.00000 I23 I 0.11186 0.36796 0.14776 1.00000 I24 I 0.61186 0.13204 0.85224 1.00000