# generated using pymatgen
data_Sc(NbC)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52563394
_cell_length_b   5.52563375
_cell_length_c   5.52492791
_cell_angle_alpha   80.57606301
_cell_angle_beta   80.57605940
_cell_angle_gamma   119.93757557
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(NbC)5
_chemical_formula_sum   'Sc1 Nb5 C5'
_cell_volume   138.13719077
_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  0.74316851  0.74316851  0.74123879  1.0
  Nb  Nb1  1  0.26113787  0.26113787  0.26286552  1.0
  Nb  Nb2  1  0.08652761  0.44163412  0.74557858  1.0
  Nb  Nb3  1  0.55967940  0.91026220  0.25255148  1.0
  Nb  Nb4  1  0.91026220  0.55967940  0.25255148  1.0
  Nb  Nb5  1  0.44163412  0.08652761  0.74557858  1.0
  C  C6  1  0.49688491  0.49688491  0.49845840  1.0
  C  C7  1  0.66534043  0.32900555  0.00381001  1.0
  C  C8  1  0.32900555  0.66534043  0.00381001  1.0
  C  C9  1  0.83443353  0.17192585  0.49677809  1.0
  C  C10  1  0.17192585  0.83443353  0.49677809  1.0