data_[Pr1Re1O4F2]
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 [P1]
_cell_length_a [4.7511]
_cell_length_b [5.5432]
_cell_length_c [5.6284]
_cell_angle_alpha [87.5051]
_cell_angle_beta [75.0786]
_cell_angle_gamma [68.8224]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PrRe(O2F)2]
_chemical_formula_sum '[Pr1 Re1 O4 F2]'
_cell_volume [133.3572]
_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
[
  Pr  Pr0  1  0.3950  0.1486  0.6825  1.0
  Re  Re1  1  0.2418  0.6903  0.2294  1.0
  O  O2  1  0.3213  0.3578  0.2991  1.0
  O  O3  1  0.3666  0.7771  0.4682  1.0
  O  O4  1  0.4534  0.8034  0.9701  1.0
  O  O5  1  0.8501  0.8952  0.3113  1.0
  F  F6  1  0.1302  0.5257  0.9251  1.0
  F  F7  1  0.8545  0.1890  0.7272  1.0
]