data_[Y1Re1O4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [P1]
_cell_length_a [4.6211]
_cell_length_b [5.4459]
_cell_length_c [5.5347]
_cell_angle_alpha [87.3445]
_cell_angle_beta [69.2575]
_cell_angle_gamma [75.7127]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [YRe(O2F)2]
_chemical_formula_sum '[Y1 Re1 O4 F2]'
_cell_volume [126.0994]
_cell_formula_units_Z [1]
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
[
  Y  Y0  1  0.6035  0.3194  0.8553  1.0
  Re  Re1  1  0.7576  0.7697  0.3060  1.0
  O  O2  1  0.1593  0.6977  0.1109  1.0
  O  O3  1  0.5468  0.0378  0.1884  1.0
  O  O4  1  0.6478  0.5228  0.1993  1.0
  O  O5  1  0.6654  0.6809  0.6362  1.0
  F  F6  1  0.1559  0.2779  0.8154  1.0
  F  F7  1  0.8508  0.0809  0.5014  1.0
]