# generated using pymatgen
data_Ca2B8Os3Ru4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41857282
_cell_length_b   6.41857282
_cell_length_c   10.07899259
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2B8Os3Ru4
_chemical_formula_sum   'Ca4 B16 Os6 Ru8'
_cell_volume   415.23511272
_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
  Ca  Ca0  1  0.73178341  0.89038284  0.00000000  1.0
  Ca  Ca1  1  0.10961716  0.73178341  0.50000000  1.0
  Ca  Ca2  1  0.89038284  0.26821659  0.50000000  1.0
  Ca  Ca3  1  0.26821659  0.10961716  0.00000000  1.0
  B  B4  1  0.50000000  0.00000000  0.58881697  1.0
  B  B5  1  0.50000000  0.00000000  0.41118303  1.0
  B  B6  1  0.89783788  0.26875319  0.16316131  1.0
  B  B7  1  0.10216212  0.73124681  0.83683869  1.0
  B  B8  1  0.50000000  0.50000000  0.33968533  1.0
  B  B9  1  0.50000000  0.50000000  0.83968533  1.0
  B  B10  1  0.26875319  0.10216212  0.66316131  1.0
  B  B11  1  0.10216212  0.73124681  0.16316131  1.0
  B  B12  1  0.26875319  0.10216212  0.33683869  1.0
  B  B13  1  0.89783788  0.26875319  0.83683869  1.0
  B  B14  1  0.50000000  0.50000000  0.66031467  1.0
  B  B15  1  0.50000000  0.50000000  0.16031467  1.0
  B  B16  1  0.00000000  0.50000000  0.91118303  1.0
  B  B17  1  0.73124681  0.89783788  0.66316131  1.0
  B  B18  1  0.73124681  0.89783788  0.33683869  1.0
  B  B19  1  0.00000000  0.50000000  0.08881697  1.0
  Os  Os20  1  0.40769215  0.28988692  0.50000000  1.0
  Os  Os21  1  0.59230785  0.71011308  0.50000000  1.0
  Os  Os22  1  0.28988692  0.59230785  0.00000000  1.0
  Os  Os23  1  0.71011308  0.40769215  0.00000000  1.0
  Os  Os24  1  0.00000000  0.00000000  0.25000000  1.0
  Os  Os25  1  0.00000000  0.00000000  0.75000000  1.0
  Ru  Ru26  1  0.20450281  0.39259561  0.75578946  1.0
  Ru  Ru27  1  0.39259561  0.79549719  0.25578946  1.0
  Ru  Ru28  1  0.20450281  0.39259561  0.24421054  1.0
  Ru  Ru29  1  0.60740439  0.20450281  0.74421054  1.0
  Ru  Ru30  1  0.79549719  0.60740439  0.24421054  1.0
  Ru  Ru31  1  0.79549719  0.60740439  0.75578946  1.0
  Ru  Ru32  1  0.39259561  0.79549719  0.74421054  1.0
  Ru  Ru33  1  0.60740439  0.20450281  0.25578946  1.0