# CIF generated by HEAS from Alexandria entry agm005444577 data_agm005444577 _cell_length_a 4.47471 _cell_length_b 4.47471 _cell_length_c 5.37384 _cell_angle_alpha 73.94458 _cell_angle_beta 73.94458 _cell_angle_gamma 48.09577 _cell_volume 76.32218 _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 Tl1 Tl 0.50000 0.50000 0.50000 1.00000 Ni1 Ni 0.16286 0.16286 0.69650 1.00000 Ni2 Ni 0.50000 0.50000 0.00000 1.00000 Ni3 Ni 0.83714 0.83714 0.30350 1.00000 Ni4 Ni 0.82375 0.82375 0.85458 1.00000 Ni5 Ni 0.17625 0.17625 0.14542 1.00000