# generated using pymatgen
data_ReO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50701946
_cell_length_b   5.50550856
_cell_length_c   3.74322675
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReO2F
_chemical_formula_sum   'Re2 O4 F2'
_cell_volume   113.49067777
_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  Re0  1  0.99720278  0.97058178  0.50000000  1.0
  Re  Re1  1  0.49720378  0.52941922  0.50000000  1.0
  O  O2  1  0.99846079  0.99856945  0.00000000  1.0
  O  O3  1  0.49846179  0.50143155  0.00000000  1.0
  O  O4  1  0.23821527  0.73953614  0.50000000  1.0
  O  O5  1  0.73821427  0.76046286  0.50000000  1.0
  F  F6  1  0.26612215  0.23428220  0.50000000  1.0
  F  F7  1  0.76612115  0.26571880  0.50000000  1.0