# generated using pymatgen
data_BaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17107700
_cell_length_b   4.50045900
_cell_length_c   8.48734293
_cell_angle_alpha   84.26342327
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaO4
_chemical_formula_sum   'Ba4 O16'
_cell_volume   348.55271673
_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  0.65365200  0.73356200  0.66163600  1.0
  Ba  Ba1  1  0.15365200  0.26643800  0.83836400  1.0
  Ba  Ba2  1  0.34634800  0.26643800  0.33836400  1.0
  Ba  Ba3  1  0.84634800  0.73356200  0.16163600  1.0
  O  O4  1  0.48058200  0.24420900  0.63637900  1.0
  O  O5  1  0.98058200  0.75579100  0.86362100  1.0
  O  O6  1  0.51941800  0.75579100  0.36362100  1.0
  O  O7  1  0.01941800  0.24420900  0.13637900  1.0
  O  O8  1  0.27394300  0.79752600  0.67022400  1.0
  O  O9  1  0.77394300  0.20247400  0.82977600  1.0
  O  O10  1  0.72605700  0.20247400  0.32977600  1.0
  O  O11  1  0.22605700  0.79752600  0.17022400  1.0
  O  O12  1  0.22347500  0.68097800  0.54349900  1.0
  O  O13  1  0.72347500  0.31902200  0.95650100  1.0
  O  O14  1  0.77652500  0.31902200  0.45650100  1.0
  O  O15  1  0.27652500  0.68097800  0.04349900  1.0
  O  O16  1  0.94390400  0.65552500  0.72102100  1.0
  O  O17  1  0.44390400  0.34447500  0.77897900  1.0
  O  O18  1  0.05609600  0.34447500  0.27897900  1.0
  O  O19  1  0.55609600  0.65552500  0.22102100  1.0