data_Re3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3C
_chemical_formula_sum   'Re6 C2'
_cell_volume   106.01
_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_occupancy
  Re  Re2  1  0.0  0.67  0.01  1.0
  Re  Re3  1  0.31  0.94  0.01  1.0
  Re  Re4  1  0.69  0.94  0.01  1.0
  Re  Re5  1  0.76  0.11  0.0  1.0
  Re  Re6  1  0.45  0.84  0.0  1.0
  Re  Re7  1  0.07  0.84  0.0  1.0
  C  C0  1  0.0  0.19  0.0  1.0
  C  C1  1  0.76  0.59  0.01  1.0

data_Re3C
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   5.52
_cell_length_b   4.02
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   Re3C
_chemical_formula_sum   'Re6 C2'
_cell_volume   106.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  2  0.07  0.0  0.45  1.0
  Re  Re1  2  0.31  0.0  0.55  1.0
  Re  Re2  2  0.38  0.0  0.72  1.0
  C  C3  2  0.38  0.0  0.2  1.0

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