# CIF generated by HEAS from Alexandria entry agm005124338 data_agm005124338 _cell_length_a 4.43044 _cell_length_b 4.43044 _cell_length_c 9.54036 _cell_angle_alpha 76.57369 _cell_angle_beta 76.57369 _cell_angle_gamma 60.00000 _cell_volume 156.23917 _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 0.49556 0.49556 0.51332 1.00000 Ca1 Ca 0.67036 0.67036 0.98892 1.00000 I1 I 0.06951 0.06951 0.79148 1.00000 I2 I 0.26457 0.26457 0.20628 1.00000