# CIF generated by HEAS from Alexandria entry agm045753101 data_agm045753101 _cell_length_a 7.35755 _cell_length_b 7.35755 _cell_length_c 8.72134 _cell_angle_alpha 59.61781 _cell_angle_beta 120.38219 _cell_angle_gamma 143.08860 _cell_volume 239.87710 _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 Sc1 Sc 0.09828 0.90172 0.79213 1.00000 Sc2 Sc 0.23728 0.76272 0.20924 1.00000 Sc3 Sc 0.90172 0.09828 0.20787 1.00000 Sc4 Sc 0.43029 0.56971 0.79099 1.00000 Sc5 Sc 0.76272 0.23728 0.79076 1.00000 Sc6 Sc 0.56971 0.43029 0.20901 1.00000 Tl1 Tl 0.83445 0.16555 0.50378 1.00000 Tl2 Tl 0.16555 0.83445 0.49622 1.00000 Tl3 Tl 0.50000 0.50000 0.50000 1.00000 Ni1 Ni 0.00000 0.00000 0.00000 1.00000 Ru1 Ru 0.66563 0.33437 0.00056 1.00000 Ru2 Ru 0.33437 0.66563 0.99944 1.00000