#------------------------------------------------------------------------------
#$Date: 2015-07-23 06:54:04 +0300 (Thu, 23 Jul 2015) $
#$Revision: 3607 $
#$URL: svn://www.crystallography.net/cod-tools/tests/inputs/1011060-graphite-atom-type-symbol.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1011060
_chemical_name_systematic          'Carbon'
_chemical_name_mineral             'Graphite 2H'
_chemical_compound_source          'from Kropfm}hl, Bavaria'
_chemical_formula_structural       'C'
_chemical_formula_sum              ''
_publ_section_title                'Ueber die Kristallstruktur des Graphits.'
_publ_author_name                  'Hassel, O'
_journal_name_full                 'Zeitschrift fuer Physik'
_journal_coden_ASTM                ZEPYAA
_journal_volume                    25
_journal_year                      1924
_journal_page_first                317
_journal_page_last                 337
_cell_length_a                     2.47
_cell_length_b                     2.47
_cell_length_c                     6.79
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       35.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.16
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  C0     0.000
loop_    
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  C0     2 a 0. 0. 0. 1.  0 d
  C0     2 b 0.3333 0.6667 0.005(5) 1.  0 d
