# CIF generated by HEAS from Alexandria entry agm003806830 data_agm003806830 _cell_length_a 6.52911 _cell_length_b 6.52901 _cell_length_c 3.26324 _cell_angle_alpha 75.53004 _cell_angle_beta 75.52675 _cell_angle_gamma 28.94338 _cell_volume 65.03962 _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 0.33246 0.33246 0.66754 1.00000 Ir1 Ir 0.67498 0.67498 0.32502 1.00000 Br1 Br 0.99256 0.99256 0.00744 1.00000