# CIF generated by HEAS from Alexandria entry agm091896739 data_agm091896739 _cell_length_a 4.65653 _cell_length_b 4.54232 _cell_length_c 4.91498 _cell_angle_alpha 90.00188 _cell_angle_beta 90.63040 _cell_angle_gamma 119.06073 _cell_volume 90.86383 _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 Ba1 Ba 0.84305 0.42130 0.99836 1.00000 Ni1 Ni 0.01268 0.00658 0.49993 1.00000 H1 H 0.73426 0.86709 0.70280 1.00000 H2 H 0.26481 0.13255 0.26842 1.00000 H3 H 0.73625 0.86815 0.28937 1.00000 H4 H 0.26023 0.13021 0.73968 1.00000 H5 H 0.07447 0.44208 0.50071 1.00000 H6 H 0.07426 0.63205 0.50073 1.00000