# CIF generated by HEAS from Alexandria entry agm006972508 data_agm006972508 _cell_length_a 4.61990 _cell_length_b 4.61990 _cell_length_c 5.70041 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 105.36636 _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 0.00000 0.00000 0.71325 1.00000 Tl1 Tl 0.33333 0.66667 0.18805 1.00000 Ni1 Ni 0.66667 0.33333 0.58958 1.00000 H1 H 0.50192 0.49808 0.74772 1.00000 H2 H 0.82678 0.65356 0.42212 1.00000 H3 H 0.82678 0.17322 0.42212 1.00000 H4 H 0.34644 0.17322 0.42212 1.00000 H5 H 0.50192 0.00385 0.74772 1.00000 H6 H 0.99615 0.49808 0.74772 1.00000