# CIF generated by HEAS from Alexandria entry agm005996771 data_agm005996771 _cell_length_a 9.15392 _cell_length_b 9.15216 _cell_length_c 9.30260 _cell_angle_alpha 119.93273 _cell_angle_beta 89.99999 _cell_angle_gamma 120.00635 _cell_volume 551.59340 _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 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 Sn1 Sn 0.50000 0.00000 0.00000 1.00000 Sn2 Sn 0.50000 0.50000 0.00000 1.00000 Sn3 Sn 0.00000 0.50000 0.00000 1.00000 I1 I 0.25112 0.50224 0.75715 1.00000 I2 I 0.74888 0.49776 0.24285 1.00000 I3 I 0.24744 0.00340 0.76291 1.00000 I4 I 0.75596 0.00340 0.76291 1.00000 I5 I 0.75616 0.51233 0.76297 1.00000 I6 I 0.24384 0.48767 0.23703 1.00000 I7 I 0.24404 0.99660 0.23709 1.00000 I8 I 0.75256 0.99660 0.23709 1.00000