# generated using pymatgen
data_TaNb2(BOs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09713589
_cell_length_b   9.08824024
_cell_length_c   15.81679450
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2(BOs)3
_chemical_formula_sum   'Ta4 Nb8 B12 Os12'
_cell_volume   445.20346142
_cell_formula_units_Z   4
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
  Ta  Ta0  1  0.00000000  0.80068088  0.49487407  1.0
  Ta  Ta1  1  0.00000000  0.19931912  0.50512593  1.0
  Ta  Ta2  1  0.00000000  0.30068088  0.00512593  1.0
  Ta  Ta3  1  0.00000000  0.69931912  0.99487407  1.0
  Nb  Nb4  1  0.00000000  0.51562868  0.59395517  1.0
  Nb  Nb5  1  0.00000000  0.48437132  0.40604483  1.0
  Nb  Nb6  1  0.00000000  0.01562868  0.90604483  1.0
  Nb  Nb7  1  0.00000000  0.98437132  0.09395517  1.0
  Nb  Nb8  1  0.00000000  0.68996752  0.20225398  1.0
  Nb  Nb9  1  0.00000000  0.31003248  0.79774602  1.0
  Nb  Nb10  1  0.00000000  0.18996752  0.29774602  1.0
  Nb  Nb11  1  0.00000000  0.81003248  0.70225398  1.0
  B  B12  1  0.50000000  0.60627557  0.49733614  1.0
  B  B13  1  0.50000000  0.39372443  0.50266386  1.0
  B  B14  1  0.50000000  0.10627557  0.00266386  1.0
  B  B15  1  0.50000000  0.89372443  0.99733614  1.0
  B  B16  1  0.00000000  0.60800811  0.83231601  1.0
  B  B17  1  0.00000000  0.39199189  0.16768399  1.0
  B  B18  1  0.00000000  0.10800811  0.66768399  1.0
  B  B19  1  0.00000000  0.89199189  0.33231601  1.0
  B  B20  1  0.50000000  0.71647002  0.59605846  1.0
  B  B21  1  0.50000000  0.28352998  0.40394154  1.0
  B  B22  1  0.50000000  0.21647002  0.90394154  1.0
  B  B23  1  0.50000000  0.78352998  0.09605846  1.0
  Os  Os24  1  0.50000000  0.72167892  0.35599005  1.0
  Os  Os25  1  0.50000000  0.27832108  0.64400995  1.0
  Os  Os26  1  0.50000000  0.22167892  0.14400995  1.0
  Os  Os27  1  0.50000000  0.77832108  0.85599005  1.0
  Os  Os28  1  0.50000000  0.51643143  0.09339265  1.0
  Os  Os29  1  0.50000000  0.48356857  0.90660735  1.0
  Os  Os30  1  0.50000000  0.01643143  0.40660735  1.0
  Os  Os31  1  0.50000000  0.98356857  0.59339265  1.0
  Os  Os32  1  0.50000000  0.55832327  0.73570388  1.0
  Os  Os33  1  0.50000000  0.44167673  0.26429612  1.0
  Os  Os34  1  0.50000000  0.05832327  0.76429612  1.0
  Os  Os35  1  0.50000000  0.94167673  0.23570388  1.0