# generated using pymatgen
data_Sc(Nb2B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.61281098
_cell_length_b   11.61281010
_cell_length_c   3.35583053
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   164.37175531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(Nb2B3)2
_chemical_formula_sum   'Sc1 Nb4 B6'
_cell_volume   121.91680545
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.61469176  0.38530824  0.00000000  1.0
  Nb  Nb2  1  0.38530824  0.61469176  0.00000000  1.0
  Nb  Nb3  1  0.80547446  0.19452554  0.50000000  1.0
  Nb  Nb4  1  0.19452554  0.80547446  0.50000000  1.0
  B  B5  1  0.91824647  0.08175353  0.50000000  1.0
  B  B6  1  0.08175353  0.91824647  0.50000000  1.0
  B  B7  1  0.72774017  0.27225983  0.00000000  1.0
  B  B8  1  0.27225983  0.72774017  0.00000000  1.0
  B  B9  1  0.53995048  0.46004952  0.50000000  1.0
  B  B10  1  0.46004952  0.53995048  0.50000000  1.0