# generated using pymatgen
data_Ba4Fe(ReO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86618109
_cell_length_b   9.86618099
_cell_length_c   9.86618118
_cell_angle_alpha   33.73008580
_cell_angle_beta   33.73008525
_cell_angle_gamma   33.73008924
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Fe(ReO6)2
_chemical_formula_sum   'Ba4 Fe1 Re2 O12'
_cell_volume   263.83951338
_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  0.70864236  0.70864236  0.70864236  1.0
  Ba  Ba1  1  0.29135764  0.29135764  0.29135764  1.0
  Ba  Ba2  1  0.86845808  0.86845808  0.86845808  1.0
  Ba  Ba3  1  0.13154192  0.13154192  0.13154192  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re5  1  0.58147027  0.58147027  0.58147027  1.0
  Re  Re6  1  0.41852973  0.41852973  0.41852973  1.0
  O  O7  1  0.21528031  0.69667090  0.21528031  1.0
  O  O8  1  0.21528031  0.21528031  0.69667090  1.0
  O  O9  1  0.69667090  0.21528031  0.21528031  1.0
  O  O10  1  0.78471969  0.30332910  0.78471969  1.0
  O  O11  1  0.78471969  0.78471969  0.30332910  1.0
  O  O12  1  0.30332910  0.78471969  0.78471969  1.0
  O  O13  1  0.38914893  0.86082539  0.38914893  1.0
  O  O14  1  0.38914893  0.38914893  0.86082539  1.0
  O  O15  1  0.86082539  0.38914893  0.38914893  1.0
  O  O16  1  0.61085107  0.13917461  0.61085107  1.0
  O  O17  1  0.61085107  0.61085107  0.13917461  1.0
  O  O18  1  0.13917461  0.61085107  0.61085107  1.0