# CIF generated by HEAS from Alexandria entry agm007755213 data_agm007755213 _cell_length_a 7.89731 _cell_length_b 9.83957 _cell_length_c 12.26169 _cell_angle_alpha 76.13217 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 925.03563 _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 Ni1 Ni 0.55035 0.88857 0.59550 1.00000 Ni2 Ni 0.05035 0.61143 0.40450 1.00000 Ni3 Ni 0.44965 0.11143 0.40450 1.00000 Ni4 Ni 0.94965 0.38857 0.59550 1.00000 Ni5 Ni 0.82433 0.95380 0.75149 1.00000 Ni6 Ni 0.32433 0.54620 0.24851 1.00000 Ni7 Ni 0.17567 0.04620 0.24851 1.00000 Ni8 Ni 0.67567 0.45380 0.75149 1.00000 Ni9 Ni 0.30020 0.63138 0.64497 1.00000 Ni10 Ni 0.80020 0.86862 0.35503 1.00000 Ni11 Ni 0.69980 0.36862 0.35503 1.00000 Ni12 Ni 0.19980 0.13138 0.64497 1.00000 Ni13 Ni 0.71835 0.95367 0.98666 1.00000 Ni14 Ni 0.21835 0.54633 0.01334 1.00000 Ni15 Ni 0.28165 0.04633 0.01334 1.00000 Ni16 Ni 0.78165 0.45367 0.98666 1.00000 P1 P 0.54047 0.71541 0.85362 1.00000 P2 P 0.04047 0.78459 0.14638 1.00000 P3 P 0.45953 0.28459 0.14638 1.00000 P4 P 0.95953 0.21541 0.85362 1.00000 P5 P 0.91353 0.71255 0.61473 1.00000 P6 P 0.41353 0.78745 0.38527 1.00000 P7 P 0.08647 0.28745 0.38527 1.00000 P8 P 0.58647 0.21255 0.61473 1.00000 H1 H 0.24870 0.45738 0.52699 1.00000 H2 H 0.74870 0.04262 0.47301 1.00000 H3 H 0.75130 0.54262 0.47301 1.00000 H4 H 0.25130 0.95738 0.52699 1.00000 H5 H 0.09822 0.88283 0.69559 1.00000 H6 H 0.59822 0.61717 0.30441 1.00000 H7 H 0.90178 0.11717 0.30441 1.00000 H8 H 0.40178 0.38283 0.69559 1.00000 H9 H 0.02990 0.66327 0.83693 1.00000 H10 H 0.52990 0.83673 0.16307 1.00000 H11 H 0.97010 0.33673 0.16307 1.00000 H12 H 0.47010 0.16327 0.83693 1.00000 H13 H 0.97093 0.71653 0.94797 1.00000 H14 H 0.47093 0.78347 0.05203 1.00000 H15 H 0.02907 0.28347 0.05203 1.00000 H16 H 0.52907 0.21653 0.94797 1.00000 H17 H 0.29604 0.83876 0.91581 1.00000 H18 H 0.79604 0.66124 0.08419 1.00000 H19 H 0.70396 0.16124 0.08419 1.00000 H20 H 0.20396 0.33876 0.91581 1.00000 H21 H 0.16368 0.94663 0.83487 1.00000 H22 H 0.66368 0.55337 0.16513 1.00000 H23 H 0.83632 0.05337 0.16513 1.00000 H24 H 0.33632 0.44663 0.83487 1.00000 O1 O 0.44717 0.75522 0.73873 1.00000 O2 O 0.94717 0.74478 0.26127 1.00000 O3 O 0.55283 0.24478 0.26127 1.00000 O4 O 0.05283 0.25522 0.73873 1.00000 O5 O 0.64637 0.57950 0.86158 1.00000 O6 O 0.14637 0.92050 0.13842 1.00000 O7 O 0.35363 0.42050 0.13842 1.00000 O8 O 0.85363 0.07950 0.86158 1.00000 O9 O 0.65724 0.83940 0.86709 1.00000 O10 O 0.15724 0.66060 0.13291 1.00000 O11 O 0.34276 0.16060 0.13291 1.00000 O12 O 0.84276 0.33940 0.86709 1.00000 O13 O 0.40817 0.69263 0.95144 1.00000 O14 O 0.90817 0.80737 0.04856 1.00000 O15 O 0.59183 0.30737 0.04856 1.00000 O16 O 0.09183 0.19263 0.95144 1.00000 O17 O 0.44272 0.74275 0.51482 1.00000 O18 O 0.94272 0.75725 0.48518 1.00000 O19 O 0.55728 0.25725 0.48518 1.00000 O20 O 0.05728 0.24275 0.51482 1.00000 O21 O 0.84677 0.56019 0.64746 1.00000 O22 O 0.34677 0.93981 0.35254 1.00000 O23 O 0.15323 0.43981 0.35254 1.00000 O24 O 0.65323 0.06019 0.64746 1.00000 O25 O 0.78740 0.81154 0.65242 1.00000 O26 O 0.28740 0.68846 0.34758 1.00000 O27 O 0.21260 0.18846 0.34758 1.00000 O28 O 0.71260 0.31154 0.65242 1.00000 O29 O 0.08404 0.72032 0.67748 1.00000 O30 O 0.58404 0.77968 0.32252 1.00000 O31 O 0.91596 0.27968 0.32252 1.00000 O32 O 0.41596 0.22032 0.67748 1.00000 O33 O 0.00943 0.63452 0.91908 1.00000 O34 O 0.50943 0.86548 0.08092 1.00000 O35 O 0.99057 0.36548 0.08092 1.00000 O36 O 0.49057 0.13452 0.91908 1.00000 O37 O 0.16510 0.51240 0.55619 1.00000 O38 O 0.66510 0.98760 0.44381 1.00000 O39 O 0.83490 0.48760 0.44381 1.00000 O40 O 0.33490 0.01240 0.55619 1.00000 O41 O 0.06674 0.96787 0.72126 1.00000 O42 O 0.56674 0.53213 0.27874 1.00000 O43 O 0.93326 0.03213 0.27874 1.00000 O44 O 0.43326 0.46787 0.72126 1.00000 O45 O 0.23920 0.93153 0.90384 1.00000 O46 O 0.73920 0.56847 0.09616 1.00000 O47 O 0.76080 0.06847 0.09616 1.00000 O48 O 0.26080 0.43153 0.90384 1.00000