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

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

# CRYSTAL DATA

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

_chemical_formula_structural       
'Ge P'

_cell_length_a                         6.12360
_cell_length_b                         3.64175
_cell_length_c                         8.05279
_cell_angle_alpha                      91.9155
_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
   GE1   Ge    1.0    0.00182    0.00965    0.14950     Biso  1.000
   GE2   Ge    1.0    0.50237    0.51564    0.14985     Biso  1.000
   P1    P     1.0    0.83831    0.52113    0.27639     Biso  1.000
   P2    P     1.0    0.33764    0.02425    0.27647     Biso  1.000