# CIF generated by HEAS from Alexandria entry agm007680378 data_agm007680378 _cell_length_a 6.71497 _cell_length_b 6.71497 _cell_length_c 6.71497 _cell_angle_alpha 33.55132 _cell_angle_beta 33.55132 _cell_angle_gamma 33.55132 _cell_volume 82.38038 _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 Si1 Si 0.50000 0.50000 0.50000 1.00000 H1 H 0.92987 0.45787 0.45787 1.00000 H2 H 0.45787 0.45787 0.92987 1.00000 H3 H 0.54213 0.07013 0.54213 1.00000 H4 H 0.07013 0.54213 0.54213 1.00000 H5 H 0.54213 0.54213 0.07013 1.00000 H6 H 0.45787 0.92987 0.45787 1.00000 Ir1 Ir 0.21550 0.21550 0.21550 1.00000 Ir2 Ir 0.78450 0.78450 0.78450 1.00000