# CIF generated by HEAS from Alexandria entry agm017188094 data_agm017188094 _cell_length_a 13.50663 _cell_length_b 13.50663 _cell_length_c 4.10011 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 647.76936 _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 0.00000 0.18833 0.50000 1.00000 Ca2 Ca 0.81167 0.81167 0.50000 1.00000 Ca3 Ca 0.18833 0.00000 0.50000 1.00000 Ca4 Ca 0.66667 0.33333 0.00000 1.00000 Ca5 Ca 0.33333 0.66667 0.00000 1.00000 Ti1 Ti 0.00000 0.55316 0.00000 1.00000 Ti2 Ti 0.44684 0.44684 0.00000 1.00000 Ti3 Ti 0.55316 0.00000 0.00000 1.00000 As1 As 0.00000 0.82372 0.00000 1.00000 As2 As 0.17628 0.17628 0.00000 1.00000 As3 As 0.82372 0.00000 0.00000 1.00000 As4 As 0.67904 0.16047 0.50000 1.00000 As5 As 0.83953 0.51857 0.50000 1.00000 As6 As 0.48143 0.32096 0.50000 1.00000 As7 As 0.16047 0.67904 0.50000 1.00000 As8 As 0.51857 0.83953 0.50000 1.00000 As9 As 0.32096 0.48143 0.50000 1.00000 As10 As 0.00000 0.36392 0.00000 1.00000 As11 As 0.63608 0.63608 0.00000 1.00000 As12 As 0.36392 0.00000 0.00000 1.00000 Pd1 Pd 0.00000 0.72072 0.50000 1.00000 Pd2 Pd 0.27928 0.27928 0.50000 1.00000 Pd3 Pd 0.72072 0.00000 0.50000 1.00000 Pd4 Pd 0.80366 0.18270 0.00000 1.00000 Pd5 Pd 0.81730 0.62097 0.00000 1.00000 Pd6 Pd 0.37903 0.19634 0.00000 1.00000 Pd7 Pd 0.18270 0.80366 0.00000 1.00000 Pd8 Pd 0.62097 0.81730 0.00000 1.00000 Pd9 Pd 0.19634 0.37903 0.00000 1.00000 Pd10 Pd 0.87227 0.35556 0.50000 1.00000 Pd11 Pd 0.64444 0.51671 0.50000 1.00000 Pd12 Pd 0.48329 0.12773 0.50000 1.00000 Pd13 Pd 0.35556 0.87227 0.50000 1.00000 Pd14 Pd 0.51671 0.64444 0.50000 1.00000 Pd15 Pd 0.12773 0.48329 0.50000 1.00000 Pd16 Pd 0.00000 0.00000 0.00000 1.00000