# CIF generated by HEAS from Alexandria entry agm005652907 data_agm005652907 _cell_length_a 3.57401 _cell_length_b 3.57401 _cell_length_c 22.09112 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 244.37664 _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 Zr1 Zr 0.00000 0.00000 0.31243 1.00000 Zr2 Zr 0.00000 0.00000 0.68757 1.00000 Zr3 Zr 0.66667 0.33333 0.00000 1.00000 S1 S 0.00000 0.00000 0.92843 1.00000 S2 S 0.00000 0.00000 0.07157 1.00000 Br1 Br 0.66667 0.33333 0.39570 1.00000 Br2 Br 0.66667 0.33333 0.77012 1.00000 Br3 Br 0.66667 0.33333 0.22988 1.00000 Br4 Br 0.66667 0.33333 0.60430 1.00000