# generated using pymatgen
data_BaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62101500
_cell_length_b   8.15325000
_cell_length_c   17.66921800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaO6
_chemical_formula_sum   'Ba8 O48'
_cell_volume   953.83369445
_cell_formula_units_Z   8
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  0.53867700  0.26737900  0.87136700  1.0
  Ba  Ba1  1  0.96132300  0.73262100  0.37136700  1.0
  Ba  Ba2  1  0.03867700  0.23262100  0.12863300  1.0
  Ba  Ba3  1  0.46132300  0.76737900  0.62863300  1.0
  Ba  Ba4  1  0.46132300  0.73262100  0.12863300  1.0
  Ba  Ba5  1  0.03867700  0.26737900  0.62863300  1.0
  Ba  Ba6  1  0.96132300  0.76737900  0.87136700  1.0
  Ba  Ba7  1  0.53867700  0.23262100  0.37136700  1.0
  O  O8  1  0.81769500  0.47581800  0.79480900  1.0
  O  O9  1  0.68230500  0.52418200  0.29480900  1.0
  O  O10  1  0.31769500  0.02418200  0.20519100  1.0
  O  O11  1  0.18230500  0.97581800  0.70519100  1.0
  O  O12  1  0.18230500  0.52418200  0.20519100  1.0
  O  O13  1  0.31769500  0.47581800  0.70519100  1.0
  O  O14  1  0.68230500  0.97581800  0.79480900  1.0
  O  O15  1  0.81769500  0.02418200  0.29480900  1.0
  O  O16  1  0.85619100  0.32446300  0.77302900  1.0
  O  O17  1  0.64380900  0.67553700  0.27302900  1.0
  O  O18  1  0.35619100  0.17553700  0.22697100  1.0
  O  O19  1  0.14380900  0.82446300  0.72697100  1.0
  O  O20  1  0.14380900  0.67553700  0.22697100  1.0
  O  O21  1  0.35619100  0.32446300  0.72697100  1.0
  O  O22  1  0.64380900  0.82446300  0.77302900  1.0
  O  O23  1  0.85619100  0.17553700  0.27302900  1.0
  O  O24  1  0.78354900  0.03602700  0.95703800  1.0
  O  O25  1  0.71645100  0.96397300  0.45703800  1.0
  O  O26  1  0.28354900  0.46397300  0.04296200  1.0
  O  O27  1  0.21645100  0.53602700  0.54296200  1.0
  O  O28  1  0.21645100  0.96397300  0.04296200  1.0
  O  O29  1  0.28354900  0.03602700  0.54296200  1.0
  O  O30  1  0.71645100  0.53602700  0.95703800  1.0
  O  O31  1  0.78354900  0.46397300  0.45703800  1.0
  O  O32  1  0.87081100  0.17196500  0.97693300  1.0
  O  O33  1  0.62918900  0.82803500  0.47693300  1.0
  O  O34  1  0.37081100  0.32803500  0.02306700  1.0
  O  O35  1  0.12918900  0.67196500  0.52306700  1.0
  O  O36  1  0.12918900  0.82803500  0.02306700  1.0
  O  O37  1  0.37081100  0.17196500  0.52306700  1.0
  O  O38  1  0.62918900  0.67196500  0.97693300  1.0
  O  O39  1  0.87081100  0.32803500  0.47693300  1.0
  O  O40  1  0.17721600  0.46655100  0.88081700  1.0
  O  O41  1  0.32278400  0.53344900  0.38081700  1.0
  O  O42  1  0.67721600  0.03344900  0.11918300  1.0
  O  O43  1  0.82278400  0.96655100  0.61918300  1.0
  O  O44  1  0.82278400  0.53344900  0.11918300  1.0
  O  O45  1  0.67721600  0.46655100  0.61918300  1.0
  O  O46  1  0.32278400  0.96655100  0.88081700  1.0
  O  O47  1  0.17721600  0.03344900  0.38081700  1.0
  O  O48  1  0.18254900  0.07335600  0.86454300  1.0
  O  O49  1  0.31745100  0.92664400  0.36454300  1.0
  O  O50  1  0.68254900  0.42664400  0.13545700  1.0
  O  O51  1  0.81745100  0.57335600  0.63545700  1.0
  O  O52  1  0.81745100  0.92664400  0.13545700  1.0
  O  O53  1  0.68254900  0.07335600  0.63545700  1.0
  O  O54  1  0.31745100  0.57335600  0.86454300  1.0
  O  O55  1  0.18254900  0.42664400  0.36454300  1.0