# generated using pymatgen
data_ReO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08501428
_cell_length_b   6.80965673
_cell_length_c   10.47486922
_cell_angle_alpha   89.74707039
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReO3F
_chemical_formula_sum   'Re6 O18 F6'
_cell_volume   434.04144385
_cell_formula_units_Z   6
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  0.04802253  -0.00000000  0.25000000  1.0
  Re  Re1  1  0.28386525  0.33449870  0.63825583  1.0
  Re  Re2  1  0.95197747  -0.00000000  0.75000000  1.0
  Re  Re3  1  0.71613475  0.33449870  0.13825583  1.0
  Re  Re4  1  0.71613475  0.66550130  0.36174417  1.0
  Re  Re5  1  0.28386525  0.66550130  0.86174417  1.0
  O  O6  1  0.21914462  0.85319981  0.16560584  1.0
  O  O7  1  0.75677670  0.51649628  0.48971546  1.0
  O  O8  1  0.78085538  0.14680019  0.83439416  1.0
  O  O9  1  0.96226866  0.83311633  0.38723612  1.0
  O  O10  1  0.49640209  0.18892771  0.59416929  1.0
  O  O11  1  0.21914462  0.14680019  0.33439416  1.0
  O  O12  1  0.55485391  0.50000000  0.25000000  1.0
  O  O13  1  0.03773134  0.16688367  0.61276388  1.0
  O  O14  1  0.24322330  0.48350372  0.51028454  1.0
  O  O15  1  0.49640209  0.81107229  0.90583071  1.0
  O  O16  1  0.96226866  0.16688367  0.11276388  1.0
  O  O17  1  0.50359791  0.81107229  0.40583071  1.0
  O  O18  1  0.44514609  0.50000000  0.75000000  1.0
  O  O19  1  0.75677670  0.48350372  0.01028454  1.0
  O  O20  1  0.78085538  0.85319981  0.66560584  1.0
  O  O21  1  0.03773134  0.83311633  0.88723612  1.0
  O  O22  1  0.24322330  0.51649628  0.98971546  1.0
  O  O23  1  0.50359791  0.18892771  0.09416929  1.0
  F  F24  1  0.94919327  0.50000000  0.25000000  1.0
  F  F25  1  0.05080673  0.50000000  0.75000000  1.0
  F  F26  1  0.76536130  0.16629512  0.31125173  1.0
  F  F27  1  0.23463870  0.83370488  0.68874827  1.0
  F  F28  1  0.76536130  0.83370488  0.18874827  1.0
  F  F29  1  0.23463870  0.16629512  0.81125173  1.0