# generated using pymatgen
data_Ba2ReO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72199782
_cell_length_b   7.37515435
_cell_length_c   11.63040178
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ReO5
_chemical_formula_sum   'Ba8 Re4 O20'
_cell_volume   490.81013239
_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  0.75000000  0.47672437  0.28484804  1.0
  Ba  Ba1  1  0.25000000  0.52327563  0.71515196  1.0
  Ba  Ba2  1  0.75000000  0.97672437  0.21515196  1.0
  Ba  Ba3  1  0.25000000  0.02327563  0.78484804  1.0
  Ba  Ba4  1  0.75000000  0.16466903  0.58116489  1.0
  Ba  Ba5  1  0.25000000  0.83533097  0.41883511  1.0
  Ba  Ba6  1  0.75000000  0.66466903  0.91883511  1.0
  Ba  Ba7  1  0.25000000  0.33533097  0.08116489  1.0
  Re  Re8  1  0.75000000  0.16934319  0.93660560  1.0
  Re  Re9  1  0.25000000  0.83065681  0.06339440  1.0
  Re  Re10  1  0.75000000  0.66934319  0.56339440  1.0
  Re  Re11  1  0.25000000  0.33065681  0.43660560  1.0
  O  O12  1  0.48715755  0.17626251  0.38373318  1.0
  O  O13  1  0.98715755  0.82373749  0.61626682  1.0
  O  O14  1  0.01284245  0.67626251  0.11626682  1.0
  O  O15  1  0.51284245  0.32373749  0.88373318  1.0
  O  O16  1  0.51284245  0.82373749  0.61626682  1.0
  O  O17  1  0.01284245  0.17626251  0.38373318  1.0
  O  O18  1  0.98715755  0.32373749  0.88373318  1.0
  O  O19  1  0.48715755  0.67626251  0.11626682  1.0
  O  O20  1  0.50000000  0.50000000  0.50000000  1.0
  O  O21  1  0.00000000  0.50000000  0.50000000  1.0
  O  O22  1  0.00000000  -0.00000000  -0.00000000  1.0
  O  O23  1  0.50000000  -0.00000000  -0.00000000  1.0
  O  O24  1  0.75000000  0.27746078  0.08912719  1.0
  O  O25  1  0.25000000  0.72253922  0.91087281  1.0
  O  O26  1  0.75000000  0.77746078  0.41087281  1.0
  O  O27  1  0.25000000  0.22253922  0.58912719  1.0
  O  O28  1  0.75000000  0.01859730  0.80822282  1.0
  O  O29  1  0.25000000  0.98140270  0.19177718  1.0
  O  O30  1  0.75000000  0.51859730  0.69177718  1.0
  O  O31  1  0.25000000  0.48140270  0.30822282  1.0