# generated using pymatgen
data_Ca3Sc5(B6Os)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53038132
_cell_length_b   8.96665250
_cell_length_c   11.34524678
_cell_angle_alpha   89.98768488
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Sc5(B6Os)4
_chemical_formula_sum   'Ca3 Sc5 B24 Os4'
_cell_volume   359.14174855
_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  0.00000000  0.32212154  0.41477541  1.0
  Ca  Ca1  1  0.00000000  0.67748523  0.58543125  1.0
  Ca  Ca2  1  0.00000000  0.82125146  0.08505526  1.0
  Sc  Sc3  1  0.00000000  0.17817638  0.91478740  1.0
  Sc  Sc4  1  0.00000000  0.94305160  0.36836568  1.0
  Sc  Sc5  1  0.00000000  0.05678697  0.63089244  1.0
  Sc  Sc6  1  0.00000000  0.44384975  0.12887346  1.0
  Sc  Sc7  1  0.00000000  0.55600946  0.87132010  1.0
  B  B8  1  0.50000000  0.55430193  0.43250728  1.0
  B  B9  1  0.50000000  0.44426994  0.56939191  1.0
  B  B10  1  0.50000000  0.05558997  0.06484787  1.0
  B  B11  1  0.50000000  0.94758123  0.93279257  1.0
  B  B12  1  0.50000000  0.75272789  0.41706336  1.0
  B  B13  1  0.50000000  0.24712827  0.58389387  1.0
  B  B14  1  0.50000000  0.25263017  0.07935120  1.0
  B  B15  1  0.50000000  0.74797680  0.91750660  1.0
  B  B16  1  0.50000000  0.79427058  0.26373699  1.0
  B  B17  1  0.50000000  0.20482768  0.73848723  1.0
  B  B18  1  0.50000000  0.29435818  0.23376076  1.0
  B  B19  1  0.50000000  0.70685424  0.76512404  1.0
  B  B20  1  0.50000000  0.62926320  0.18318827  1.0
  B  B21  1  0.50000000  0.36852799  0.81939242  1.0
  B  B22  1  0.50000000  0.12995755  0.31476136  1.0
  B  B23  1  0.50000000  0.87140583  0.68367304  1.0
  B  B24  1  0.50000000  0.98237461  0.21171234  1.0
  B  B25  1  0.50000000  0.01981423  0.78802255  1.0
  B  B26  1  0.50000000  0.48189672  0.28640289  1.0
  B  B27  1  0.50000000  0.51696150  0.71496946  1.0
  B  B28  1  0.50000000  0.59554575  0.02584103  1.0
  B  B29  1  0.50000000  0.40106709  0.97329608  1.0
  B  B30  1  0.50000000  0.09493331  0.47421958  1.0
  B  B31  1  0.50000000  0.90574929  0.52540561  1.0
  Os  Os32  1  0.00000000  0.64105360  0.31734293  1.0
  Os  Os33  1  0.00000000  0.35613318  0.68611985  1.0
  Os  Os34  1  0.00000000  0.14101322  0.17849902  1.0
  Os  Os35  1  0.00000000  0.86305264  0.81918789  1.0