# generated using pymatgen
data_Ba2Si3PIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73432099
_cell_length_b   7.69986772
_cell_length_c   7.88900448
_cell_angle_alpha   87.85159433
_cell_angle_beta   90.03234568
_cell_angle_gamma   89.63646559
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Si3PIr4
_chemical_formula_sum   'Ba4 Si6 P2 Ir8'
_cell_volume   408.77564838
_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  0.37664272  0.00286757  0.24073690  1.0
  Ba  Ba1  1  0.87023085  0.49842812  0.76169091  1.0
  Ba  Ba2  1  0.12532416  0.49776051  0.23371796  1.0
  Ba  Ba3  1  0.62273697  0.99746149  0.76633476  1.0
  Si  Si4  1  0.64441299  0.31396986  0.43552081  1.0
  Si  Si5  1  0.85750679  0.81241164  0.44003670  1.0
  Si  Si6  1  0.92032278  0.12968076  0.07191227  1.0
  Si  Si7  1  0.58306121  0.63488493  0.07533196  1.0
  Si  Si8  1  0.08515089  0.86905037  0.92848518  1.0
  Si  Si9  1  0.35265759  0.68733223  0.56068237  1.0
  P  P10  1  0.41727913  0.36707978  0.92589667  1.0
  P  P11  1  0.14327615  0.18962515  0.56178533  1.0
  Ir  Ir12  1  0.38747603  0.38129078  0.62330723  1.0
  Ir  Ir13  1  0.60845534  0.61601296  0.37894989  1.0
  Ir  Ir14  1  0.11280075  0.89201889  0.62350177  1.0
  Ir  Ir15  1  0.16704279  0.17204663  0.85810156  1.0
  Ir  Ir16  1  0.65972439  0.32869427  0.13360700  1.0
  Ir  Ir17  1  0.83695164  0.83233372  0.14008725  1.0
  Ir  Ir18  1  0.33252349  0.65931450  0.86098003  1.0
  Ir  Ir19  1  0.89642332  0.11773584  0.37932947  1.0