# CIF generated by HEAS from Alexandria entry agm007676239 data_agm007676239 _cell_length_a 6.13820 _cell_length_b 6.13820 _cell_length_c 6.13820 _cell_angle_alpha 44.10883 _cell_angle_beta 44.10883 _cell_angle_gamma 44.10883 _cell_volume 101.78539 _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 Tm1 Tm 0.50000 0.50000 0.50000 1.00000 Th1 Th 0.00000 0.00000 0.00000 1.00000 Cu1 Cu 0.21307 0.21307 0.21307 1.00000 Cu2 Cu 0.78693 0.78693 0.78693 1.00000 H1 H 0.92837 0.44570 0.44570 1.00000 H2 H 0.44570 0.44570 0.92837 1.00000 H3 H 0.55430 0.07163 0.55430 1.00000 H4 H 0.07163 0.55430 0.55430 1.00000 H5 H 0.55430 0.55430 0.07163 1.00000 H6 H 0.44570 0.92837 0.44570 1.00000