data_[Pr2Re2O8F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [6.0037]
_cell_length_b [5.5220]
_cell_length_c [7.2563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrReO4F]
_chemical_formula_sum '[Pr2 Re2 O8 F2]'
_cell_volume [223.0252]
_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
[
  Pr  Pr0  2  0.2840  0.2500  0.5530  1
  Re  Re1  2  0.1136  0.7500  0.2230  1
  O  O2  4  0.3335  0.5017  0.2933  1
  O  O3  2  0.1267  0.7500  0.4981  1
  O  O4  2  0.2047  0.2500  0.8586  1
  F  F5  2  0.1025  0.7500  0.9464  1
]