# generated using pymatgen
data_Ba3P3I2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59193794
_cell_length_b   14.29295486
_cell_length_c   17.53367412
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3P3I2
_chemical_formula_sum   'Ba12 P12 I8'
_cell_volume   1150.77644171
_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  0.25000000  0.45851972  0.64446626  1.0
  Ba  Ba1  1  0.75000000  0.54148028  0.35553374  1.0
  Ba  Ba2  1  0.75000000  0.95851972  0.85553374  1.0
  Ba  Ba3  1  0.25000000  0.04148028  0.14446626  1.0
  Ba  Ba4  1  0.25000000  0.71175321  0.15900491  1.0
  Ba  Ba5  1  0.75000000  0.28824679  0.84099509  1.0
  Ba  Ba6  1  0.75000000  0.21175321  0.34099509  1.0
  Ba  Ba7  1  0.25000000  0.78824679  0.65900491  1.0
  Ba  Ba8  1  0.25000000  0.61656699  0.87159309  1.0
  Ba  Ba9  1  0.75000000  0.38343301  0.12840691  1.0
  Ba  Ba10  1  0.75000000  0.11656699  0.62840691  1.0
  Ba  Ba11  1  0.25000000  0.88343301  0.37159309  1.0
  P  P12  1  0.25000000  0.37388556  0.28440231  1.0
  P  P13  1  0.75000000  0.62611444  0.71559769  1.0
  P  P14  1  0.75000000  0.87388556  0.21559769  1.0
  P  P15  1  0.25000000  0.12611444  0.78440231  1.0
  P  P16  1  0.25000000  0.25322052  0.21145266  1.0
  P  P17  1  0.75000000  0.74677948  0.78854734  1.0
  P  P18  1  0.75000000  0.75322052  0.28854734  1.0
  P  P19  1  0.25000000  0.24677948  0.71145266  1.0
  P  P20  1  0.25000000  0.50384076  0.22438508  1.0
  P  P21  1  0.75000000  0.49615924  0.77561492  1.0
  P  P22  1  0.75000000  0.00384076  0.27561492  1.0
  P  P23  1  0.25000000  0.99615924  0.72438508  1.0
  I  I24  1  0.25000000  0.11402784  0.47020438  1.0
  I  I25  1  0.75000000  0.88597216  0.52979562  1.0
  I  I26  1  0.75000000  0.61402784  0.02979562  1.0
  I  I27  1  0.25000000  0.38597216  0.97020438  1.0
  I  I28  1  0.25000000  0.63460523  0.49111819  1.0
  I  I29  1  0.75000000  0.36539477  0.50888181  1.0
  I  I30  1  0.75000000  0.13460523  0.00888181  1.0
  I  I31  1  0.25000000  0.86539477  0.99111819  1.0