# CIF generated by HEAS from Alexandria entry agm079277604 data_agm079277604 _cell_length_a 7.10187 _cell_length_b 5.19424 _cell_length_c 4.33413 _cell_angle_alpha 64.87975 _cell_angle_beta 52.39937 _cell_angle_gamma 46.51512 _cell_volume 91.90392 _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 0.17952 0.79726 0.71228 1.00000 H1 H 0.56474 0.02666 0.37914 1.00000 H2 H 0.62045 0.91532 0.08046 1.00000 H3 H 0.30385 0.10161 0.94729 1.00000 H4 H 0.75070 0.10170 0.50028 1.00000 H5 H 0.61497 0.49770 0.92624 1.00000 H6 H 0.04361 0.49779 0.49739 1.00000 Ir1 Ir 0.67216 0.81195 0.70692 1.00000