# CIF generated by HEAS from Alexandria entry agm005778409 data_agm005778409 _cell_length_a 4.59018 _cell_length_b 5.69327 _cell_length_c 7.69961 _cell_angle_alpha 111.68670 _cell_angle_beta 107.31472 _cell_angle_gamma 90.00012 _cell_volume 177.12255 _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 0.14887 0.15817 0.29837 1.00000 Ba2 Ba 0.85113 0.86001 0.70163 1.00000 Ca1 Ca 0.50001 0.50888 1.00000 1.00000 Ir1 Ir 0.50000 0.00894 0.00000 1.00000