# CIF generated by HEAS from Alexandria entry agm002052001 data_agm002052001 _cell_length_a 4.43745 _cell_length_b 4.99063 _cell_length_c 5.43714 _cell_angle_alpha 66.74234 _cell_angle_beta 89.96600 _cell_angle_gamma 89.99889 _cell_volume 110.62438 _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 Ni1 Ni 0.07243 0.72141 0.35288 1.00000 Ni2 Ni 0.57248 0.98318 0.31212 1.00000 Ca1 Ca 0.57344 0.38062 0.76903 1.00000 Ca2 Ca 0.07338 0.87149 0.81637 1.00000 Ir1 Ir 0.57250 0.53548 0.21925 1.00000 Ir2 Ir 0.07248 0.25744 0.24990 1.00000