data_Re3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3O
_chemical_formula_sum   'Re6 O2'
_cell_volume   111.42
_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  0.91  0.09  0.7  1.0
  Re  Re3  1  0.88  0.09  0.7  1.0
  Re  Re4  1  0.4  0.71  0.7  1.0
  Re  Re5  1  0.49  0.8  0.09  1.0
  Re  Re6  1  0.51  0.8  0.09  1.0
  Re  Re7  1  0.0  0.18  0.09  1.0
  O  O0  1  0.4  0.96  0.09  1.0
  O  O1  1  0.0  0.92  0.7  1.0

data_Re3O
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.79
_cell_length_b   6.8
_cell_length_c   6.8
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Re3O
_chemical_formula_sum   'Re6 O2'
_cell_volume   111.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.3  0.2  0.27  1.0
  Re  Re1  2  0.3  0.69  0.65  1.0
  Re  Re2  2  0.3  0.71  0.65  1.0
  O  O3  2  0.3  0.8  0.48  1.0

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