# generated using pymatgen
data_BaFe2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.95507163
_cell_length_b   5.41519318
_cell_length_c   9.10105969
_cell_angle_alpha   85.03806354
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFe2F7
_chemical_formula_sum   'Ba4 Fe8 F28'
_cell_volume   537.88633379
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.66285158  0.77399603  0.53735693  1.0
  Ba  Ba1  1  0.33714842  0.22600397  0.46264307  1.0
  Ba  Ba2  1  0.16285158  0.22600397  0.96264307  1.0
  Ba  Ba3  1  0.83714842  0.77399603  0.03735693  1.0
  Fe  Fe4  1  0.06583363  0.81829736  0.61935051  1.0
  Fe  Fe5  1  0.93416637  0.18170264  0.38064949  1.0
  Fe  Fe6  1  0.56583363  0.18170264  0.88064949  1.0
  Fe  Fe7  1  0.43416637  0.81829736  0.11935051  1.0
  Fe  Fe8  1  0.37726599  0.69012816  0.74149211  1.0
  Fe  Fe9  1  0.62273401  0.30987184  0.25850789  1.0
  Fe  Fe10  1  0.87726599  0.30987184  0.75850789  1.0
  Fe  Fe11  1  0.12273401  0.69012816  0.24149211  1.0
  F  F12  1  0.90843138  0.85670247  0.50411951  1.0
  F  F13  1  0.09156862  0.14329753  0.49588049  1.0
  F  F14  1  0.40843138  0.14329753  0.99588049  1.0
  F  F15  1  0.59156862  0.85670247  0.00411951  1.0
  F  F16  1  0.28652680  0.39419420  0.72337616  1.0
  F  F17  1  0.71347320  0.60580580  0.27662384  1.0
  F  F18  1  0.78652680  0.60580580  0.77662384  1.0
  F  F19  1  0.21347320  0.39419420  0.22337616  1.0
  F  F20  1  0.48215884  0.99081486  0.72574600  1.0
  F  F21  1  0.51784116  0.00918514  0.27425400  1.0
  F  F22  1  0.98215884  0.00918514  0.77425400  1.0
  F  F23  1  0.01784116  0.99081486  0.22574600  1.0
  F  F24  1  0.03528209  0.50923626  0.73962384  1.0
  F  F25  1  0.96471791  0.49076374  0.26037616  1.0
  F  F26  1  0.53528209  0.49076374  0.76037616  1.0
  F  F27  1  0.46471791  0.50923626  0.23962384  1.0
  F  F28  1  0.22623342  0.89971763  0.71283791  1.0
  F  F29  1  0.77376658  0.10028237  0.28716209  1.0
  F  F30  1  0.72623342  0.10028237  0.78716209  1.0
  F  F31  1  0.27376658  0.89971763  0.21283791  1.0
  F  F32  1  0.40855788  0.71669252  0.52460080  1.0
  F  F33  1  0.59144212  0.28330748  0.47539920  1.0
  F  F34  1  0.90855788  0.28330748  0.97539920  1.0
  F  F35  1  0.09144212  0.71669252  0.02460080  1.0
  F  F36  1  0.35416508  0.65942527  0.95645522  1.0
  F  F37  1  0.64583492  0.34057473  0.04354478  1.0
  F  F38  1  0.85416508  0.34057473  0.54354478  1.0
  F  F39  1  0.14583492  0.65942527  0.45645522  1.0