# CIF generated by HEAS from Alexandria entry agm005694469 data_agm005694469 _cell_length_a 5.06021 _cell_length_b 5.06021 _cell_length_c 20.80172 _cell_angle_alpha 90.04406 _cell_angle_beta 89.95590 _cell_angle_gamma 119.97696 _cell_volume 461.38960 _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 0.33354 0.66646 0.88478 1.00000 Ba2 Ba 0.99934 0.00066 0.31574 1.00000 Ba3 Ba 0.00066 0.99934 0.68426 1.00000 Ba4 Ba 0.66646 0.33354 0.11522 1.00000 Bi1 Bi 0.66710 0.33290 0.79244 1.00000 Bi2 Bi 0.33290 0.66710 0.20756 1.00000 I1 I 0.66581 0.33419 0.40430 1.00000 I2 I 0.00000 0.00000 0.00000 1.00000 I3 I 0.33419 0.66581 0.59570 1.00000