# CIF generated by HEAS from Alexandria entry agm005754833 data_agm005754833 _cell_length_a 8.60951 _cell_length_b 8.61126 _cell_length_c 7.86323 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 119.99326 _cell_volume 504.90095 _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 0.10220 0.60233 0.75000 1.00000 Ba2 Ba 0.49987 0.39767 0.75000 1.00000 Ba3 Ba 0.89780 0.39767 0.25000 1.00000 Ba4 Ba 0.89749 1.00000 0.75000 1.00000 Ba5 Ba 0.10251 0.00000 0.25000 1.00000 Ba6 Ba 0.50013 0.60233 0.25000 1.00000 P1 P 0.16665 0.33330 0.50000 1.00000 P2 P 0.16665 0.33330 0.00000 1.00000 P3 P 0.83335 0.66670 0.00000 1.00000 P4 P 0.83335 0.66670 0.50000 1.00000 I1 I 0.50025 0.00000 0.25000 1.00000 I2 I 0.49975 1.00000 0.75000 1.00000