# generated using pymatgen
data_BaP2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29172700
_cell_length_b   8.76774133
_cell_length_c   8.89332760
_cell_angle_alpha   118.69769652
_cell_angle_beta   83.46333200
_cell_angle_gamma   106.38225651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaP2S2O9
_chemical_formula_sum   'Ba2 P4 S4 O18'
_cell_volume   543.92100931
_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  0.74765300  0.08473500  0.36868900  1.0
  Ba  Ba1  1  0.25234700  0.91526500  0.63131100  1.0
  P  P2  1  0.59179400  0.65812000  0.35075000  1.0
  P  P3  1  0.40820600  0.34188000  0.64925000  1.0
  P  P4  1  0.41285600  0.28865600  0.29088400  1.0
  P  P5  1  0.58714400  0.71134400  0.70911600  1.0
  S  S6  1  0.77640200  0.66809800  0.19919800  1.0
  S  S7  1  0.22359800  0.33190200  0.80080200  1.0
  S  S8  1  0.19358400  0.10222100  0.14416800  1.0
  S  S9  1  0.80641600  0.89777900  0.85583200  1.0
  O  O10  1  0.44238300  0.46704900  0.26864800  1.0
  O  O11  1  0.55761700  0.53295100  0.73135200  1.0
  O  O12  1  0.50611000  0.80955800  0.42010000  1.0
  O  O13  1  0.49389000  0.19044200  0.57990000  1.0
  O  O14  1  0.34913400  0.35456800  0.48440700  1.0
  O  O15  1  0.65086600  0.64543200  0.51559300  1.0
  O  O16  1  0.56764800  0.22162200  0.25348100  1.0
  O  O17  1  0.43235200  0.77837800  0.74651900  1.0
  O  O18  1  0.30092000  0.76332500  0.12013800  1.0
  O  O19  1  0.69908000  0.23667500  0.87986200  1.0
  O  O20  1  0.05854900  0.09011700  0.27811400  1.0
  O  O21  1  0.94145100  0.90988300  0.72188600  1.0
  O  O22  1  0.79713800  0.23347900  0.76263600  1.0
  O  O23  1  0.20286200  0.76652100  0.23736400  1.0
  O  O24  1  0.01275900  0.46394900  0.32905500  1.0
  O  O25  1  0.98724100  0.53605100  0.67094500  1.0
  O  O26  1  0.01051600  0.37258800  0.17012800  1.0
  O  O27  1  0.98948400  0.62741200  0.82987200  1.0