# CIF generated by HEAS from Alexandria entry agm005285241 data_agm005285241 _cell_length_a 8.32494 _cell_length_b 8.60868 _cell_length_c 17.48391 _cell_angle_alpha 71.88207 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1190.88887 _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 0.96687 0.72113 0.83835 1.00000 Ba2 Ba 0.53313 0.72113 0.33835 1.00000 Ba3 Ba 0.46687 0.27887 0.66165 1.00000 Ba4 Ba 0.03313 0.27887 0.16165 1.00000 Ca1 Ca 0.66460 0.81655 0.58977 1.00000 Ca2 Ca 0.83540 0.81655 0.08977 1.00000 Ca3 Ca 0.16460 0.18345 0.91023 1.00000 Ca4 Ca 0.33540 0.18345 0.41023 1.00000 I1 I 0.83151 0.04449 0.66715 1.00000 I2 I 0.66849 0.04449 0.16715 1.00000 I3 I 0.32062 0.94972 0.58913 1.00000 I4 I 0.17938 0.94972 0.08913 1.00000 I5 I 0.63646 0.55242 0.75715 1.00000 I6 I 0.74023 0.54072 0.51910 1.00000 I7 I 0.86354 0.55242 0.25715 1.00000 I8 I 0.24023 0.45928 0.98090 1.00000 I9 I 0.75977 0.54072 0.01910 1.00000 I10 I 0.13646 0.44758 0.74285 1.00000 I11 I 0.25977 0.45928 0.48090 1.00000 I12 I 0.36354 0.44758 0.24285 1.00000 I13 I 0.82062 0.05028 0.91087 1.00000 I14 I 0.67938 0.05028 0.41087 1.00000 I15 I 0.33151 0.95551 0.83285 1.00000 I16 I 0.16849 0.95551 0.33285 1.00000