[CIF]
data_ReO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97574108
_cell_length_b   4.97574108
_cell_length_c   3.25593400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReO3
_chemical_formula_sum   'Re2 O6'
_cell_volume   69.81066426
_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
  O  O0  1  -0.00000000  1.59837098  2.44195050  1
  O  O1  1  1.10364066  3.50993268  2.44195050  1
  O  O2  1  -1.10364066  3.50993268  2.44195050  1
  O  O3  1  2.48787054  2.71074719  0.81398350  1
  O  O4  1  1.38422988  0.79918549  0.81398350  1
  O  O5  1  3.59151120  0.79918549  0.81398350  1
  Re  Re6  1  -0.00000000  2.87274545  0.81398350  1
  Re  Re7  1  2.48787054  1.43637273  2.44195050  1
[/CIF]
