# generated using pymatgen
data_Zr(NbC)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55950800
_cell_length_b   5.55950805
_cell_length_c   5.53414603
_cell_angle_alpha   80.59836956
_cell_angle_beta   80.59835537
_cell_angle_gamma   120.29899958
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(NbC)5
_chemical_formula_sum   'Zr1 Nb5 C5'
_cell_volume   139.50522870
_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
  Zr  Zr0  1  0.74215667  0.74215667  0.74148383  1.0
  Nb  Nb1  1  0.26275295  0.26275295  0.26332601  1.0
  Nb  Nb2  1  0.08408352  0.43949412  0.74552695  1.0
  Nb  Nb3  1  0.56084347  0.91497004  0.25303375  1.0
  Nb  Nb4  1  0.91497004  0.56084347  0.25303375  1.0
  Nb  Nb5  1  0.43949412  0.08408352  0.74552695  1.0
  C  C6  1  0.49738423  0.49738423  0.49893122  1.0
  C  C7  1  0.66312064  0.32870544  0.00361239  1.0
  C  C8  1  0.32870544  0.66312064  0.00361239  1.0
  C  C9  1  0.83477357  0.17171536  0.49595587  1.0
  C  C10  1  0.17171536  0.83477357  0.49595587  1.0