# CIF generated by HEAS from Alexandria entry agm005124339 data_agm005124339 _cell_length_a 4.43122 _cell_length_b 4.43122 _cell_length_c 12.24688 _cell_angle_alpha 79.57710 _cell_angle_beta 79.57710 _cell_angle_gamma 60.00000 _cell_volume 203.66394 _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 Ba1 Ba 0.07282 0.07282 0.78153 1.00000 Ba2 Ba 0.26060 0.26060 0.21820 1.00000 Ca1 Ca 0.49972 0.49972 0.50083 1.00000 I1 I 0.66685 0.66685 0.99944 1.00000