# CIF generated by HEAS from Alexandria entry agm005774447 data_agm005774447 _cell_length_a 3.51099 _cell_length_b 3.91026 _cell_length_c 5.67254 _cell_angle_alpha 90.00000 _cell_angle_beta 107.90364 _cell_angle_gamma 90.00000 _cell_volume 74.10640 _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 Zr1 Zr 0.35354 0.75000 0.70818 1.00000 Zr2 Zr 0.64646 0.25000 0.29182 1.00000 Ni1 Ni 0.92959 0.25000 0.86245 1.00000 Ni2 Ni 0.07041 0.75000 0.13755 1.00000 H1 H 0.25037 0.25000 0.50138 1.00000 H2 H 0.74963 0.75000 0.49862 1.00000 H3 H 0.44269 0.25000 0.88733 1.00000 H4 H 0.55731 0.75000 0.11267 1.00000