# generated using pymatgen
data_Ca4B16Os3Ru11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41130217
_cell_length_b   6.41244831
_cell_length_c   10.07081837
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.97361025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4B16Os3Ru11
_chemical_formula_sum   'Ca4 B16 Os3 Ru11'
_cell_volume   414.03288856
_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
  Ca  Ca0  1  0.73153946  0.88590982  0.00000000  1.0
  Ca  Ca1  1  0.11341907  0.73165669  0.50000000  1.0
  Ca  Ca2  1  0.89124986  0.26744910  0.50000000  1.0
  Ca  Ca3  1  0.26808835  0.11415015  0.00000000  1.0
  B  B4  1  0.50084872  0.99970767  0.58847210  1.0
  B  B5  1  0.50084872  0.99970767  0.41152790  1.0
  B  B6  1  0.89792543  0.27146140  0.16505718  1.0
  B  B7  1  0.10210592  0.72828118  0.83481826  1.0
  B  B8  1  0.49912544  0.50102944  0.34020540  1.0
  B  B9  1  0.49995620  0.49994810  0.84057085  1.0
  B  B10  1  0.26890913  0.10198098  0.66344084  1.0
  B  B11  1  0.10210592  0.72828118  0.16518174  1.0
  B  B12  1  0.26890913  0.10198098  0.33655916  1.0
  B  B13  1  0.89792543  0.27146140  0.83494282  1.0
  B  B14  1  0.49912544  0.50102944  0.65979460  1.0
  B  B15  1  0.49995620  0.49994810  0.15942915  1.0
  B  B16  1  0.99979863  0.49991354  0.91167074  1.0
  B  B17  1  0.72893242  0.89754755  0.66527529  1.0
  B  B18  1  0.72893242  0.89754755  0.33472471  1.0
  B  B19  1  0.99979863  0.49991354  0.08832926  1.0
  Os  Os20  1  0.40724073  0.28944857  0.50000000  1.0
  Os  Os21  1  0.99968210  0.99979719  0.24969257  1.0
  Os  Os22  1  0.99968210  0.99979719  0.75030743  1.0
  Ru  Ru23  1  0.20485389  0.39413135  0.75592689  1.0
  Ru  Ru24  1  0.39360603  0.79569549  0.25601841  1.0
  Ru  Ru25  1  0.20485389  0.39413135  0.24407311  1.0
  Ru  Ru26  1  0.59353707  0.71093355  0.50000000  1.0
  Ru  Ru27  1  0.60712481  0.20484005  0.74367169  1.0
  Ru  Ru28  1  0.28824959  0.59307959  0.00000000  1.0
  Ru  Ru29  1  0.71122839  0.40630905  0.00000000  1.0
  Ru  Ru30  1  0.79485400  0.60619830  0.24343306  1.0
  Ru  Ru31  1  0.79485400  0.60619830  0.75656694  1.0
  Ru  Ru32  1  0.39360603  0.79569549  0.74398159  1.0
  Ru  Ru33  1  0.60712481  0.20484005  0.25632831  1.0