# CIF generated by HEAS from Alexandria entry agm005772901 data_agm005772901 _cell_length_a 11.62887 _cell_length_b 8.03316 _cell_length_c 6.48311 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 53.84693 _cell_volume 489.01229 _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 Nb1 Nb 0.00000 0.00000 0.00000 1.00000 Nb2 Nb 0.00000 0.50000 0.50000 1.00000 I1 I 0.13372 0.13280 0.74511 1.00000 I2 I 0.86628 0.36720 0.24511 1.00000 I3 I 0.23606 0.30036 0.26433 1.00000 I4 I 0.76394 0.19964 0.76433 1.00000 I5 I 0.86628 0.86720 0.25489 1.00000 I6 I 0.13372 0.63280 0.75489 1.00000 I7 I 0.76394 0.69964 0.73567 1.00000 I8 I 0.23606 0.80036 0.23567 1.00000 Br1 Br 0.50000 0.50000 0.00000 1.00000 Br2 Br 0.50000 0.00000 0.50000 1.00000