# generated using pymatgen
data_Ba2(ReO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12580610
_cell_length_b   8.12580680
_cell_length_c   8.12580530
_cell_angle_alpha   109.47122176
_cell_angle_beta   109.47122350
_cell_angle_gamma   109.47121947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2(ReO3)3
_chemical_formula_sum   'Ba4 Re6 O18'
_cell_volume   413.02605907
_cell_formula_units_Z   2
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  1.00000000  1.00000000  0.37905940  1.0
  Ba  Ba1  1  0.00000000  0.37905940  0.00000000  1.0
  Ba  Ba2  1  0.62094060  0.62094060  0.62094060  1.0
  Ba  Ba3  1  0.37905940  1.00000000  1.00000000  1.0
  Re  Re4  1  0.37014693  0.50000000  0.87014693  1.0
  Re  Re5  1  0.87014693  0.37014693  0.50000000  1.0
  Re  Re6  1  0.50000000  0.12985307  0.62985307  1.0
  Re  Re7  1  0.12985307  0.62985307  0.50000000  1.0
  Re  Re8  1  0.50000000  0.87014693  0.37014693  1.0
  Re  Re9  1  0.62985307  0.50000000  0.12985307  1.0
  O  O10  1  0.33119058  0.00000000  0.33119058  1.0
  O  O11  1  0.33119058  0.33119058  1.00000000  1.0
  O  O12  1  1.00000000  0.66880942  0.66880942  1.0
  O  O13  1  0.66880942  0.66880942  0.00000000  1.0
  O  O14  1  0.00000000  0.33119058  0.33119058  1.0
  O  O15  1  0.66880942  1.00000000  0.66880942  1.0
  O  O16  1  0.37286212  0.30462849  0.64955636  1.0
  O  O17  1  0.06823363  0.34492887  0.69537151  1.0
  O  O18  1  0.72330476  0.35044364  0.65507113  1.0
  O  O19  1  0.35044364  0.65507113  0.72330476  1.0
  O  O20  1  0.27669524  0.93176637  0.62713788  1.0
  O  O21  1  0.64955636  0.37286212  0.30462849  1.0
  O  O22  1  0.30462849  0.64955636  0.37286212  1.0
  O  O23  1  0.69537151  0.06823363  0.34492887  1.0
  O  O24  1  0.93176637  0.62713788  0.27669524  1.0
  O  O25  1  0.65507113  0.72330476  0.35044364  1.0
  O  O26  1  0.62713788  0.27669524  0.93176637  1.0
  O  O27  1  0.34492887  0.69537151  0.06823363  1.0