data_Re2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   16.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2C
_chemical_formula_sum   'Re6 C3'
_cell_volume   119.48
_cell_formula_units_Z   3
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_occupancy
  Re  Re3  1  0.0  0.0  0.99  1.0
  Re  Re4  1  0.0  0.0  0.56  1.0
  Re  Re5  1  0.0  0.67  0.81  1.0
  Re  Re6  1  0.44  0.83  0.73  1.0
  Re  Re7  1  0.0  0.67  0.35  1.0
  Re  Re8  1  0.44  0.83  0.19  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.0  0.67  0.83  1.0
  C  C2  1  0.44  0.83  0.71  1.0

data_Re2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   16.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2C
_chemical_formula_sum   'Re6 C3'
_cell_volume   119.48
_cell_formula_units_Z   3
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_occupancy
  Re  Re0  1  -0.0  0.67  0.35  1.0
  Re  Re1  1  -0.0  0.67  0.81  1.0
  Re  Re2  1  0.0  0.0  0.56  1.0
  Re  Re3  1  0.0  0.0  0.99  1.0
  Re  Re4  1  0.44  0.83  0.19  1.0
  Re  Re5  1  0.44  0.83  0.73  1.0
  C  C6  1  -0.0  0.67  0.83  1.0
  C  C7  1  0.0  0.0  0.0  1.0
  C  C8  1  0.44  0.83  0.71  1.0

Re Re Re Re Re Re C C C
Re Re Re Re Re Re C C C 0 6 o o + 1 8 - - o 1 8 o - o 1 8 o o o 1 3 - - o 1 3 o - o 1 1 + + o 1 1 o + o 1 1 + o o 1 4 o - o 2 7 o o o 3 8 o o o 4 4 + + o 4 4 o + o 4 4 + o o 4 5 - o o 4 5 o o o 4 5 - - o 5 5 + + o 5 5 o + o 5 5 + o o 5 6 o + o 5 6 + + o 