# CIF generated by HEAS from Alexandria entry agm005242597 data_agm005242597 _cell_length_a 12.56434 _cell_length_b 6.32004 _cell_length_c 9.17277 _cell_angle_alpha 74.32017 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 701.27823 _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 0.00000 0.00000 0.00000 1.00000 Ni2 Ni 0.50000 0.00000 0.50000 1.00000 H1 H 0.81061 0.03055 0.12601 1.00000 H2 H 0.86293 0.67542 0.02385 1.00000 H3 H 0.05301 0.33164 0.10340 1.00000 H4 H 0.39384 0.04241 0.24074 1.00000 H5 H 0.61933 0.08885 0.24870 1.00000 H6 H 0.08339 0.68514 0.21880 1.00000 H7 H 0.58339 0.31486 0.28120 1.00000 H8 H 0.11933 0.91115 0.25130 1.00000 H9 H 0.89384 0.95759 0.25926 1.00000 H10 H 0.55301 0.66836 0.39660 1.00000 H11 H 0.36293 0.32458 0.47615 1.00000 H12 H 0.31061 0.96945 0.37399 1.00000 H13 H 0.68939 0.03055 0.62601 1.00000 H14 H 0.63707 0.67542 0.52385 1.00000 H15 H 0.44699 0.33164 0.60340 1.00000 H16 H 0.10616 0.04241 0.74074 1.00000 H17 H 0.88067 0.08885 0.74870 1.00000 H18 H 0.41661 0.68514 0.71880 1.00000 H19 H 0.91661 0.31486 0.78120 1.00000 H20 H 0.38067 0.91115 0.75130 1.00000 H21 H 0.60616 0.95759 0.75926 1.00000 H22 H 0.94699 0.66836 0.89660 1.00000 H23 H 0.13707 0.32458 0.97615 1.00000 H24 H 0.18939 0.96945 0.87399 1.00000 S1 S 0.63516 0.73830 0.09442 1.00000 S2 S 0.13516 0.26170 0.40558 1.00000 S3 S 0.86484 0.73830 0.59442 1.00000 S4 S 0.36484 0.26170 0.90558 1.00000 O1 O 0.42123 0.22177 0.05451 1.00000 O2 O 0.93854 0.70364 0.99502 1.00000 O3 O 0.88581 0.04393 0.15293 1.00000 O4 O 0.72781 0.60148 0.07013 1.00000 O5 O 0.67086 0.94614 0.12239 1.00000 O6 O 0.10087 0.84090 0.17046 1.00000 O7 O 0.56752 0.60919 0.21811 1.00000 O8 O 0.06752 0.39081 0.28189 1.00000 O9 O 0.60087 0.15910 0.32954 1.00000 O10 O 0.17086 0.05386 0.37761 1.00000 O11 O 0.22781 0.39852 0.42987 1.00000 O12 O 0.38581 0.95607 0.34707 1.00000 O13 O 0.43854 0.29636 0.50498 1.00000 O14 O 0.92123 0.77823 0.44549 1.00000 O15 O 0.07877 0.22177 0.55451 1.00000 O16 O 0.56146 0.70364 0.49502 1.00000 O17 O 0.61419 0.04393 0.65293 1.00000 O18 O 0.77219 0.60148 0.57013 1.00000 O19 O 0.82914 0.94614 0.62239 1.00000 O20 O 0.39913 0.84090 0.67046 1.00000 O21 O 0.93248 0.60919 0.71811 1.00000 O22 O 0.43248 0.39081 0.78189 1.00000 O23 O 0.89913 0.15910 0.82954 1.00000 O24 O 0.32914 0.05386 0.87761 1.00000 O25 O 0.27219 0.39852 0.92987 1.00000 O26 O 0.11419 0.95607 0.84707 1.00000 O27 O 0.06146 0.29636 0.00498 1.00000 O28 O 0.57877 0.77823 0.94549 1.00000