# CIF generated by HEAS from Alexandria entry agm040646597 data_agm040646597 _cell_length_a 8.79419 _cell_length_b 8.79419 _cell_length_c 8.79419 _cell_angle_alpha 32.07045 _cell_angle_beta 32.07045 _cell_angle_gamma 32.07045 _cell_volume 170.37913 _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 0.15931 0.15931 0.15931 1.00000 Ca1 Ca 0.96649 0.96649 0.96649 1.00000 Bi1 Bi 0.57286 0.57286 0.57286 1.00000 I1 I 0.38882 0.38882 0.38882 1.00000