# generated using pymatgen
data_Nb7(BC)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16147655
_cell_length_b   3.24140038
_cell_length_c   16.38709645
_cell_angle_alpha   95.68321543
_cell_angle_beta   95.55253770
_cell_angle_gamma   90.00352090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb7(BC)4
_chemical_formula_sum   'Nb7 B4 C4'
_cell_volume   166.31121227
_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
  Nb  Nb0  1  0.50000000  0.00000000  -0.00000000  1.0
  Nb  Nb1  1  0.08134558  0.08155946  0.16290168  1.0
  Nb  Nb2  1  0.91865442  0.91844054  0.83709832  1.0
  Nb  Nb3  1  0.21397276  0.21440039  0.42819965  1.0
  Nb  Nb4  1  0.78602724  0.78559961  0.57180035  1.0
  Nb  Nb5  1  0.64686651  0.64742220  0.29444168  1.0
  Nb  Nb6  1  0.35313349  0.35257780  0.70555832  1.0
  B  B7  1  0.97170224  0.47153386  0.94328393  1.0
  B  B8  1  0.44246238  0.44236719  0.88506281  1.0
  B  B9  1  0.55753762  0.55763281  0.11493719  1.0
  B  B10  1  0.02829776  0.52846614  0.05671607  1.0
  C  C11  1  0.71490240  0.71534173  0.43022386  1.0
  C  C12  1  0.85309225  0.85243396  0.70549406  1.0
  C  C13  1  0.28509760  0.28465827  0.56977614  1.0
  C  C14  1  0.14690775  0.14756604  0.29450594  1.0