# CIF generated by HEAS from Alexandria entry agm006281112 data_agm006281112 _cell_length_a 5.90545 _cell_length_b 5.90545 _cell_length_c 5.84423 _cell_angle_alpha 75.12826 _cell_angle_beta 75.12826 _cell_angle_gamma 39.57432 _cell_volume 124.92155 _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 0.60170 0.60170 0.17344 1.00000 Ba2 Ba 0.39830 0.39830 0.82656 1.00000 H1 H 0.66234 0.66234 0.60535 1.00000 H2 H 0.33766 0.33766 0.39465 1.00000 H3 H 0.94025 0.94025 0.14531 1.00000 H4 H 0.05975 0.05975 0.85469 1.00000 H5 H 0.00000 0.00000 0.50000 1.00000 Ir1 Ir 0.83745 0.83745 0.40686 1.00000 Ir2 Ir 0.16255 0.16255 0.59314 1.00000