# CIF generated by HEAS from Alexandria entry agm005709776 data_agm005709776 _cell_length_a 4.90581 _cell_length_b 5.30568 _cell_length_c 5.30568 _cell_angle_alpha 119.99966 _cell_angle_beta 90.00028 _cell_angle_gamma 90.00028 _cell_volume 119.59846 _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 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 Ir1 Ir 0.50000 0.66667 0.33333 1.00000 Ir2 Ir 0.50000 0.33333 0.66667 1.00000 O1 O 0.71393 0.62916 0.62916 1.00000 O2 O 0.28607 0.62915 1.00000 1.00000 O3 O 0.28607 1.00000 0.62915 1.00000 O4 O 0.71393 0.37085 0.00000 1.00000 O5 O 0.28607 0.37085 0.37085 1.00000 O6 O 0.71393 0.00000 0.37085 1.00000