# CIF generated by HEAS from Alexandria entry agm005674036 data_agm005674036 _cell_length_a 3.50687 _cell_length_b 6.16398 _cell_length_c 10.58718 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 228.85575 _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 0.22254 0.95935 1.00000 Nb2 Nb 0.00000 0.77746 0.04065 1.00000 Nb3 Nb 0.00000 0.22254 0.54065 1.00000 Nb4 Nb 0.00000 0.77746 0.45935 1.00000 Nb5 Nb 0.00000 0.14629 0.25000 1.00000 Nb6 Nb 0.00000 0.85371 0.75000 1.00000 B1 B 0.50000 0.04848 0.08562 1.00000 B2 B 0.50000 0.95152 0.91438 1.00000 B3 B 0.50000 0.04848 0.41438 1.00000 B4 B 0.50000 0.95152 0.58562 1.00000 B5 B 0.00000 0.56713 0.25000 1.00000 B6 B 0.00000 0.43287 0.75000 1.00000 Ir1 Ir 0.50000 0.42406 0.12357 1.00000 Ir2 Ir 0.50000 0.57594 0.87643 1.00000 Ir3 Ir 0.50000 0.42406 0.37643 1.00000 Ir4 Ir 0.50000 0.57594 0.62357 1.00000 Ir5 Ir 0.50000 0.80349 0.25000 1.00000 Ir6 Ir 0.50000 0.19651 0.75000 1.00000