# generated using pymatgen
data_KBa3(PRu)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78135764
_cell_length_b   9.02274214
_cell_length_c   8.05754743
_cell_angle_alpha   63.47107453
_cell_angle_beta   72.74531804
_cell_angle_gamma   97.66987219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBa3(PRu)8
_chemical_formula_sum   'K1 Ba3 P8 Ru8'
_cell_volume   400.32621364
_cell_formula_units_Z   1
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
  K  K0  1  0.00000000  0.00000000  0.00000000  1.0
  Ba  Ba1  1  0.99984467  0.49221687  0.75421936  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.50000000  1.0
  Ba  Ba3  1  0.00015533  0.50778313  0.24578064  1.0
  P  P4  1  0.31579226  0.33031732  0.50523370  1.0
  P  P5  1  0.31581975  0.32899602  0.00699203  1.0
  P  P6  1  0.31894864  0.82915212  0.25612654  1.0
  P  P7  1  0.31776442  0.82881928  0.75547313  1.0
  P  P8  1  0.68420774  0.66968268  0.49476630  1.0
  P  P9  1  0.68418025  0.67100398  0.99300797  1.0
  P  P10  1  0.68223558  0.17118072  0.24452687  1.0
  P  P11  1  0.68105136  0.17084788  0.74387346  1.0
  Ru  Ru12  1  0.50161707  0.62539058  0.31189721  1.0
  Ru  Ru13  1  0.50058517  0.62468381  0.81256648  1.0
  Ru  Ru14  1  0.49898640  0.12483833  0.06284296  1.0
  Ru  Ru15  1  0.49807857  0.12499138  0.56299865  1.0
  Ru  Ru16  1  0.49838293  0.37460942  0.68810279  1.0
  Ru  Ru17  1  0.49941483  0.37531619  0.18743352  1.0
  Ru  Ru18  1  0.50192143  0.87500862  0.43700135  1.0
  Ru  Ru19  1  0.50101360  0.87516167  0.93715704  1.0