# CIF generated by HEAS from Alexandria entry agm006111632 data_agm006111632 _cell_length_a 5.45520 _cell_length_b 7.71141 _cell_length_c 8.65631 _cell_angle_alpha 90.00003 _cell_angle_beta 71.63319 _cell_angle_gamma 90.00008 _cell_volume 345.59771 _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 0.83551 0.75331 0.32895 1.00000 Ca2 Ca 0.83554 0.24669 0.32895 1.00000 Ca3 Ca 0.49998 0.24500 0.00000 1.00000 Ca4 Ca 0.50002 0.75500 1.00000 1.00000 Ca5 Ca 0.16446 0.75331 0.67105 1.00000 Ca6 Ca 0.16449 0.24669 0.67105 1.00000 Al1 Al 0.00000 0.00000 0.00000 1.00000 Tl1 Tl 0.66730 0.50000 0.66541 1.00000 Tl2 Tl 0.33429 1.00000 0.33142 1.00000 Tl3 Tl 0.00000 0.50000 0.00000 1.00000 Tl4 Tl 0.66571 0.00000 0.66858 1.00000 Tl5 Tl 0.33270 0.50000 0.33459 1.00000