# generated using pymatgen
data_BaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31749873
_cell_length_b   6.31749873
_cell_length_c   6.52719428
_cell_angle_alpha   88.90049331
_cell_angle_beta   88.90049331
_cell_angle_gamma   104.77988154
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaO6
_chemical_formula_sum   'Ba2 O12'
_cell_volume   251.76160139
_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  0.18244500  0.81755500  0.75000000  1.0
  Ba  Ba1  1  0.81755500  0.18244500  0.25000000  1.0
  O  O2  1  0.92684700  0.77012500  0.13364400  1.0
  O  O3  1  0.22987500  0.07315300  0.36635600  1.0
  O  O4  1  0.07315300  0.22987500  0.86635600  1.0
  O  O5  1  0.77012500  0.92684700  0.63364400  1.0
  O  O6  1  0.78686300  0.59826200  0.07039700  1.0
  O  O7  1  0.40173800  0.21313700  0.42960300  1.0
  O  O8  1  0.21313700  0.40173800  0.92960300  1.0
  O  O9  1  0.59826200  0.78686300  0.57039700  1.0
  O  O10  1  0.90514000  0.47541800  0.55497800  1.0
  O  O11  1  0.52458200  0.09486000  0.94502200  1.0
  O  O12  1  0.09486000  0.52458200  0.44502200  1.0
  O  O13  1  0.47541800  0.90514000  0.05497800  1.0