# CIF generated by HEAS from Alexandria entry agm007561582 data_agm007561582 _cell_length_a 3.51889 _cell_length_b 3.51889 _cell_length_c 4.29954 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 53.23937 _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 0.50000 0.50000 0.57917 1.00000 Cu1 Cu 0.00000 0.00000 0.04759 1.00000 H1 H 0.00000 0.50000 0.96739 1.00000 H2 H 0.00000 0.00000 0.43730 1.00000 H3 H 0.50000 0.00000 0.96739 1.00000