# generated using pymatgen
data_Ba4Re6O18F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14117174
_cell_length_b   8.14117122
_cell_length_c   8.14117177
_cell_angle_alpha   109.47122201
_cell_angle_beta   109.47122070
_cell_angle_gamma   109.47121844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Re6O18F
_chemical_formula_sum   'Ba4 Re6 O18 F1'
_cell_volume   415.37354782
_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
  Ba  Ba0  1  0.00000000  0.33414162  0.00000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.33414162  1.0
  Ba  Ba2  1  0.66585838  0.66585838  0.66585838  1.0
  Ba  Ba3  1  0.33414162  1.00000000  1.00000000  1.0
  Re  Re4  1  0.50000000  0.36528014  0.86528014  1.0
  Re  Re5  1  0.50000000  0.63471986  0.13471986  1.0
  Re  Re6  1  0.36528014  0.86528014  0.50000000  1.0
  Re  Re7  1  0.63471986  0.13471986  0.50000000  1.0
  Re  Re8  1  0.86528014  0.50000000  0.36528014  1.0
  Re  Re9  1  0.13471986  0.50000000  0.63471986  1.0
  O  O10  1  0.69598263  0.35116009  0.06853659  1.0
  O  O11  1  0.64883991  0.34482254  0.71737650  1.0
  O  O12  1  0.28262350  0.62744704  0.93146341  1.0
  O  O13  1  0.65517746  0.30401737  0.37255296  1.0
  O  O14  1  0.34482254  0.71737650  0.64883991  1.0
  O  O15  1  0.93146341  0.28262350  0.62744704  1.0
  O  O16  1  0.06853659  0.69598263  0.35116009  1.0
  O  O17  1  1.00000000  0.66448798  0.66448798  1.0
  O  O18  1  0.66448798  0.66448798  1.00000000  1.0
  O  O19  1  0.71737650  0.64883991  0.34482254  1.0
  O  O20  1  0.35116009  0.06853659  0.69598263  1.0
  O  O21  1  0.66448798  0.00000000  0.66448798  1.0
  O  O22  1  0.00000000  0.33551202  0.33551202  1.0
  O  O23  1  0.62744704  0.93146341  0.28262350  1.0
  O  O24  1  0.37255296  0.65517746  0.30401737  1.0
  O  O25  1  0.30401737  0.37255296  0.65517746  1.0
  O  O26  1  0.33551202  1.00000000  0.33551202  1.0
  O  O27  1  0.33551202  0.33551202  0.00000000  1.0
  F  F28  1  0.00000000  0.00000000  0.00000000  1.0