# CIF generated by HEAS from Alexandria entry agm001982956 data_agm001982956 _cell_length_a 4.16378 _cell_length_b 4.16378 _cell_length_c 9.00472 _cell_angle_alpha 76.63230 _cell_angle_beta 76.63230 _cell_angle_gamma 60.00000 _cell_volume 130.29272 _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 I1 I 0.50000 0.50000 0.50000 1.00000 Ca1 Ca 0.74295 0.74295 0.77116 1.00000 Ca2 Ca 0.25705 0.25705 0.22884 1.00000 Al1 Al 0.00000 0.00000 0.00000 1.00000