# CIF generated by HEAS from Alexandria entry agm008282003 data_agm008282003 _cell_length_a 10.34491 _cell_length_b 10.34491 _cell_length_c 16.04085 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 1486.65924 _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 Ca1 Ca 0.66667 0.33333 0.98366 1.00000 Ca2 Ca 0.33333 0.66667 0.01634 1.00000 Ca3 Ca 0.49291 0.98582 0.69338 1.00000 Ca4 Ca 0.50709 0.01418 0.30662 1.00000 Ca5 Ca 0.49291 0.50709 0.69338 1.00000 Ca6 Ca 0.50709 0.49291 0.30662 1.00000 Ca7 Ca 0.01418 0.50709 0.69338 1.00000 Ca8 Ca 0.98582 0.49291 0.30662 1.00000 Ca9 Ca 0.00000 0.00000 0.50000 1.00000 Tl1 Tl 0.66667 0.33333 0.61867 1.00000 Tl2 Tl 0.33333 0.66667 0.38133 1.00000 Tl3 Tl 0.78655 0.57309 0.81121 1.00000 Tl4 Tl 0.21345 0.42691 0.18879 1.00000 Tl5 Tl 0.78655 0.21345 0.81121 1.00000 Tl6 Tl 0.21345 0.78655 0.18879 1.00000 Tl7 Tl 0.42691 0.21345 0.81121 1.00000 Tl8 Tl 0.57309 0.78655 0.18879 1.00000 Tl9 Tl 0.22199 0.44397 0.83086 1.00000 Tl10 Tl 0.77801 0.55603 0.16914 1.00000 Tl11 Tl 0.22199 0.77801 0.83086 1.00000 Tl12 Tl 0.77801 0.22199 0.16914 1.00000 Tl13 Tl 0.55603 0.77801 0.83086 1.00000 Tl14 Tl 0.44397 0.22199 0.16914 1.00000 Tl15 Tl 0.66667 0.33333 0.42285 1.00000 Tl16 Tl 0.33333 0.66667 0.57715 1.00000 Tl17 Tl 0.70627 0.70627 0.00000 1.00000 Tl18 Tl 0.29373 0.29373 0.00000 1.00000 Tl19 Tl 0.00000 0.29373 0.00000 1.00000 Tl20 Tl 0.00000 0.70627 0.00000 1.00000 Tl21 Tl 0.29373 0.00000 0.00000 1.00000 Tl22 Tl 0.70627 0.00000 0.00000 1.00000 Tl23 Tl 0.00000 0.00000 0.87694 1.00000 Tl24 Tl 0.00000 0.00000 0.12306 1.00000 Tl25 Tl 0.65434 0.65434 0.50000 1.00000 Tl26 Tl 0.34566 0.34566 0.50000 1.00000 Tl27 Tl 0.00000 0.34566 0.50000 1.00000 Tl28 Tl 0.00000 0.65434 0.50000 1.00000 Tl29 Tl 0.34566 0.00000 0.50000 1.00000 Tl30 Tl 0.65434 0.00000 0.50000 1.00000 Tl31 Tl 0.11390 0.22780 0.68012 1.00000 Tl32 Tl 0.88610 0.77220 0.31988 1.00000 Tl33 Tl 0.11390 0.88610 0.68012 1.00000 Tl34 Tl 0.88610 0.11390 0.31988 1.00000 Tl35 Tl 0.77220 0.88610 0.68012 1.00000 Tl36 Tl 0.22780 0.11390 0.31988 1.00000 Pd1 Pd 0.50558 0.01115 0.88548 1.00000 Pd2 Pd 0.49442 0.98885 0.11452 1.00000 Pd3 Pd 0.50558 0.49442 0.88548 1.00000 Pd4 Pd 0.49442 0.50558 0.11452 1.00000 Pd5 Pd 0.98885 0.49442 0.88548 1.00000 Pd6 Pd 0.01115 0.50558 0.11452 1.00000 Pd7 Pd 0.82711 0.65422 0.63815 1.00000 Pd8 Pd 0.17289 0.34578 0.36185 1.00000 Pd9 Pd 0.82711 0.17289 0.63815 1.00000 Pd10 Pd 0.17289 0.82711 0.36185 1.00000 Pd11 Pd 0.34578 0.17289 0.63815 1.00000 Pd12 Pd 0.65422 0.82711 0.36185 1.00000