# generated using pymatgen
data_ScNb3(BOs)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13556860
_cell_length_b   9.08454276
_cell_length_c   15.81143816
_cell_angle_alpha   90.11614438
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb3(BOs)4
_chemical_formula_sum   'Sc3 Nb9 B12 Os12'
_cell_volume   450.39116431
_cell_formula_units_Z   3
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
  Sc  Sc0  1  0.00000000  0.81190272  0.49140538  1.0
  Sc  Sc1  1  0.00000000  0.18784020  0.50796054  1.0
  Sc  Sc2  1  0.00000000  0.31161863  0.00809639  1.0
  Nb  Nb3  1  0.00000000  0.69784209  0.99551984  1.0
  Nb  Nb4  1  0.00000000  0.51610672  0.59361257  1.0
  Nb  Nb5  1  0.00000000  0.48362486  0.40635205  1.0
  Nb  Nb6  1  0.00000000  0.01555274  0.90555416  1.0
  Nb  Nb7  1  0.00000000  0.98410400  0.09380357  1.0
  Nb  Nb8  1  0.00000000  0.68497961  0.20656514  1.0
  Nb  Nb9  1  0.00000000  0.31367580  0.79330231  1.0
  Nb  Nb10  1  0.00000000  0.18681872  0.29435365  1.0
  Nb  Nb11  1  0.00000000  0.81272270  0.70458120  1.0
  B  B12  1  0.50000000  0.60232928  0.49634138  1.0
  B  B13  1  0.50000000  0.39712019  0.50345599  1.0
  B  B14  1  0.50000000  0.10330677  0.00371923  1.0
  B  B15  1  0.50000000  0.89388045  0.99662423  1.0
  B  B16  1  0.00000000  0.60591686  0.83376022  1.0
  B  B17  1  0.00000000  0.38936205  0.16755793  1.0
  B  B18  1  0.00000000  0.10778750  0.66572845  1.0
  B  B19  1  0.00000000  0.89181923  0.33357449  1.0
  B  B20  1  0.50000000  0.71384960  0.59994208  1.0
  B  B21  1  0.50000000  0.28561386  0.39951456  1.0
  B  B22  1  0.50000000  0.21535320  0.89913593  1.0
  B  B23  1  0.50000000  0.78440347  0.09932207  1.0
  Os  Os24  1  0.50000000  0.71804798  0.35413922  1.0
  Os  Os25  1  0.50000000  0.28158067  0.64576196  1.0
  Os  Os26  1  0.50000000  0.21820609  0.14356608  1.0
  Os  Os27  1  0.50000000  0.78123359  0.85737331  1.0
  Os  Os28  1  0.50000000  0.52109655  0.09773762  1.0
  Os  Os29  1  0.50000000  0.48258458  0.90310691  1.0
  Os  Os30  1  0.50000000  0.02104565  0.39922965  1.0
  Os  Os31  1  0.50000000  0.97852612  0.60018596  1.0
  Os  Os32  1  0.50000000  0.56781145  0.73357048  1.0
  Os  Os33  1  0.50000000  0.43331497  0.26593172  1.0
  Os  Os34  1  0.50000000  0.06651765  0.76831182  1.0
  Os  Os35  1  0.50000000  0.93250246  0.23130190  1.0