#====================================================================== # CRYSTAL DATA #---------------------------------------------------------------------- _chemical_formula_structural 'Si P' _cell_length_a 7.33300 _cell_length_b 6.50408 _cell_length_c 4.83912 _cell_angle_alpha 90 _cell_angle_beta 92.19184 _cell_angle_gamma 90 _symmetry_space_group_name_H-M 'C 2/m' _symmetry_Int_Tables_number 12 loop_ _atom_site_label _atom_site_type_symbol _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv SI1 Si 1.0 -0.26253 0.50000 -0.01459 Biso 1.000 P1 P 1.0 -0.22887 0 -0.47904 Biso 1.000 SI2 Si 1.0 0 0.26373 -0.50000 Biso 1.000 P2 P 1.0 -0.50000 0.23431 0 Biso 1.000