#\#CIF1.1
##########################################################################
#               Crystallographic Information Format file 
#               Produced by PyCifRW module
# 
#  This is a CIF file.  CIF has been adopted by the International
#  Union of Crystallography as the standard for data archiving and 
#  transmission.
#
#  For information on this file format, follow the CIF links at
#  http://www.iucr.org
##########################################################################

data_GaN
_symmetry_space_group_name_H-M          'P 1'
_cell_length_a                          3.21629013
_cell_length_b                          3.21629013378
_cell_length_c                          5.23996246
_cell_angle_alpha                       90.0
_cell_angle_beta                        90.0
_cell_angle_gamma                       120.000000064
_chemical_name_systematic               'Generated by pymatgen'
_symmetry_Int_Tables_number             1
_chemical_formula_structural            GaN
_chemical_formula_sum                   'Ga2 N2'
_cell_volume                            46.9428273596
_cell_formula_units_Z                   2
loop_
  _symmetry_equiv_pos_site_id
  _symmetry_equiv_pos_as_xyz
   1  'x, y, z'
 
loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_attached_hydrogens
  _atom_site_B_iso_or_equiv
  _atom_site_occupancy
   N  N1  1  0.666667  0.333333  0.875880  0  .  1
   N  N2  1  0.333333  0.666667  0.375880  0  .  1
   Ga  Ga3  1  0.666667  0.333333  0.499120  0  .  1
   Ga  Ga4  1  0.333333  0.666667  0.999120  0  .  1
 
