# CIF generated by HEAS from Alexandria entry agm004642425 data_agm004642425 _cell_length_a 6.95588 _cell_length_b 6.95588 _cell_length_c 7.92253 _cell_angle_alpha 98.44953 _cell_angle_beta 98.44953 _cell_angle_gamma 119.95154 _cell_volume 317.48839 _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 Nd1 Nd 0.33397 0.66603 0.00000 1.00000 Nd2 Nd 0.66603 0.33397 0.00000 1.00000 Zr1 Zr 0.00000 0.00000 0.00000 1.00000 Tl1 Tl 0.17149 0.82851 0.50000 1.00000 Tl2 Tl 0.82851 0.17149 0.50000 1.00000 Tl3 Tl 0.50000 0.50000 0.50000 1.00000 S1 S 0.93301 0.62402 0.79898 1.00000 S2 S 0.76059 0.76059 0.20772 1.00000 S3 S 0.06699 0.37598 0.20102 1.00000 S4 S 0.62402 0.93301 0.79898 1.00000 S5 S 0.23941 0.23941 0.79228 1.00000 S6 S 0.37598 0.06699 0.20102 1.00000