data_C_graphite_3R
_chemical_name_systematic          Carbon
_chemical_formula_structural       C
_chemical_formula_sum              C1
_chemical_name_mineral             'Graphite 3R'
_cell_length_a                     2.5158
_cell_length_b                     2.5158
_cell_length_c                     10.2089
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       55.96
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-z, -y, -x'
  2	'-z, -x, -y'
  3	'-x, -z, -y'
  4	'-y, -z, -x'
  5	'-y, -x, -z'
  6	'-x, -y, -z'
  7	'z, y, x'
  8	'z, x, y'
  9	'x, z, y'
 10	'y, z, x'
 11	'y, x, z'
 12	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
C0+	0
loop_
_atom_site_label
_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
C1 C0+ 2 c 0 0 0.167 1. 0 



