data_[Re2O6F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9841]
_cell_length_b [6.1783]
_cell_length_c [6.3145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ReO3F]
_chemical_formula_sum '[Re2 O6 F2]'
_cell_volume [193.6897]
_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  2  0.2435  0.2500  0.7592  1.0
  O  O1  4  0.0391  0.0249  0.7482  1.0
  O  O2  2  0.4327  0.2500  0.0007  1.0
  F  F3  2  0.4660  0.2500  0.5364  1.0
]