# CIF generated by HEAS from Alexandria entry agm003661920 data_agm003661920 _cell_length_a 5.34193 _cell_length_b 5.34193 _cell_length_c 5.34193 _cell_angle_alpha 102.94744 _cell_angle_beta 112.82833 _cell_angle_gamma 112.82833 _cell_volume 116.22407 _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 0.00000 0.00000 0.00000 1.00000 H1 H 0.00000 0.92383 0.49928 1.00000 H2 H 0.00000 0.49928 0.92383 1.00000 H3 H 0.57546 0.07617 0.07617 1.00000 H4 H 0.50000 0.00000 0.50000 1.00000 H5 H 0.42454 0.50072 0.50072 1.00000 H6 H 0.50000 0.50000 0.00000 1.00000 N1 N 0.00000 0.12666 0.54669 1.00000 N2 N 0.57997 0.45331 0.45331 1.00000 N3 N 0.00000 0.54669 0.12666 1.00000 N4 N 0.42003 0.87334 0.87334 1.00000