# generated using pymatgen
data_Ba8CaFe4(ReO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19882451
_cell_length_b   8.19882451
_cell_length_c   8.19882451
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba8CaFe4(ReO8)3
_chemical_formula_sum   'Ba8 Ca1 Fe4 Re3 O24'
_cell_volume   551.13091477
_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  0.25803323  0.25803323  0.25803323  1.0
  Ba  Ba1  1  0.74196677  0.25803323  0.25803323  1.0
  Ba  Ba2  1  0.25803323  0.74196677  0.25803323  1.0
  Ba  Ba3  1  0.74196677  0.74196677  0.25803323  1.0
  Ba  Ba4  1  0.25803323  0.25803323  0.74196677  1.0
  Ba  Ba5  1  0.74196677  0.25803323  0.74196677  1.0
  Ba  Ba6  1  0.25803323  0.74196677  0.74196677  1.0
  Ba  Ba7  1  0.74196677  0.74196677  0.74196677  1.0
  Ca  Ca8  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe9  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe10  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe11  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe12  1  0.50000000  0.50000000  0.50000000  1.0
  Re  Re13  1  0.50000000  0.00000000  0.00000000  1.0
  Re  Re14  1  0.00000000  0.50000000  0.00000000  1.0
  Re  Re15  1  0.00000000  0.00000000  0.50000000  1.0
  O  O16  1  0.27017330  0.00000000  0.00000000  1.0
  O  O17  1  0.72982670  0.00000000  0.00000000  1.0
  O  O18  1  0.50000000  0.23448505  0.00000000  1.0
  O  O19  1  0.00000000  0.27017330  0.00000000  1.0
  O  O20  1  0.23448505  0.50000000  0.00000000  1.0
  O  O21  1  0.76551595  0.50000000  0.00000000  1.0
  O  O22  1  0.00000000  0.72982670  0.00000000  1.0
  O  O23  1  0.50000000  0.76551595  0.00000000  1.0
  O  O24  1  0.50000000  0.00000000  0.23448505  1.0
  O  O25  1  0.00000000  0.50000000  0.23448505  1.0
  O  O26  1  0.50000000  0.50000000  0.24275086  1.0
  O  O27  1  0.00000000  0.00000000  0.27017330  1.0
  O  O28  1  0.23448505  0.00000000  0.50000000  1.0
  O  O29  1  0.76551595  0.00000000  0.50000000  1.0
  O  O30  1  0.00000000  0.23448505  0.50000000  1.0
  O  O31  1  0.50000000  0.24275086  0.50000000  1.0
  O  O32  1  0.24275086  0.50000000  0.50000000  1.0
  O  O33  1  0.75724814  0.50000000  0.50000000  1.0
  O  O34  1  0.50000000  0.75724814  0.50000000  1.0
  O  O35  1  0.00000000  0.76551595  0.50000000  1.0
  O  O36  1  0.00000000  0.00000000  0.72982670  1.0
  O  O37  1  0.50000000  0.50000000  0.75724814  1.0
  O  O38  1  0.50000000  0.00000000  0.76551595  1.0
  O  O39  1  0.00000000  0.50000000  0.76551595  1.0