# CIF generated by HEAS from Alexandria entry agm005464549 data_agm005464549 _cell_length_a 7.05256 _cell_length_b 7.05256 _cell_length_c 7.14438 _cell_angle_alpha 63.37349 _cell_angle_beta 63.37349 _cell_angle_gamma 34.03292 _cell_volume 175.68240 _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 0.77787 0.77787 0.77561 1.00000 Ca2 Ca 0.47994 0.47994 0.24807 1.00000 Ca3 Ca 0.52006 0.52006 0.75193 1.00000 Ca4 Ca 0.22213 0.22213 0.22439 1.00000 Ir1 Ir 0.10690 0.10690 0.94279 1.00000 Ir2 Ir 0.89310 0.89310 0.05721 1.00000