# Supplementary Material (ESI) for Physical Chemistry Chemical Physics
# This journal is (c) The Owner Societies 2010

#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

_chemical_formula_structural       
'Si P'

_cell_length_a                         6.007448
_cell_length_b                         3.55786
_cell_length_c                         7.94117
_cell_angle_alpha                      92.5937
_cell_angle_beta                       90.0
_cell_angle_gamma                      90.0
_symmetry_space_group_name_H-M         'P -1'
_symmetry_Int_Tables_number            2

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    0.00198    0.01122    0.14594     Biso  1.000
   SI2	Si      1.0    0.50123    0.52068    0.14474     Biso  1.000
   P1	P       1.0    0.83687    0.52538    0.26681     Biso  1.000
   P2	P       1.0    0.33699    0.03253    0.26880     Biso  1.000