# generated using pymatgen
data_NbN2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08522900
_cell_length_b   7.08522900
_cell_length_c   18.74530400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbN2Cl5
_chemical_formula_sum   'Nb4 N8 Cl20'
_cell_volume   941.02307076
_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
  Nb  Nb0  1  0.50000000  0.50000000  0.38295700  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.88295700  1.0
  Nb  Nb2  1  0.50000000  0.50000000  0.61704300  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.11704300  1.0
  N  N4  1  0.50000000  0.50000000  0.50000000  1.0
  N  N5  1  0.00000000  0.00000000  0.00000000  1.0
  N  N6  1  0.50000000  0.00000000  0.25000000  1.0
  N  N7  1  0.00000000  0.50000000  0.75000000  1.0
  N  N8  1  0.00000000  0.50000000  0.25000000  1.0
  N  N9  1  0.50000000  0.00000000  0.75000000  1.0
  N  N10  1  0.50000000  0.50000000  0.00000000  1.0
  N  N11  1  0.00000000  0.00000000  0.50000000  1.0
  Cl  Cl12  1  0.77057000  0.68931500  0.39888900  1.0
  Cl  Cl13  1  0.22943000  0.31068500  0.39888900  1.0
  Cl  Cl14  1  0.72943000  0.18931500  0.89888900  1.0
  Cl  Cl15  1  0.27057000  0.81068500  0.89888900  1.0
  Cl  Cl16  1  0.68931500  0.22943000  0.39888900  1.0
  Cl  Cl17  1  0.31068500  0.77057000  0.39888900  1.0
  Cl  Cl18  1  0.18931500  0.27057000  0.89888900  1.0
  Cl  Cl19  1  0.81068500  0.72943000  0.89888900  1.0
  Cl  Cl20  1  0.22943000  0.31068500  0.60111100  1.0
  Cl  Cl21  1  0.77057000  0.68931500  0.60111100  1.0
  Cl  Cl22  1  0.27057000  0.81068500  0.10111100  1.0
  Cl  Cl23  1  0.72943000  0.18931500  0.10111100  1.0
  Cl  Cl24  1  0.31068500  0.77057000  0.60111100  1.0
  Cl  Cl25  1  0.68931500  0.22943000  0.60111100  1.0
  Cl  Cl26  1  0.81068500  0.72943000  0.10111100  1.0
  Cl  Cl27  1  0.18931500  0.27057000  0.10111100  1.0
  Cl  Cl28  1  0.50000000  0.50000000  0.25933300  1.0
  Cl  Cl29  1  0.00000000  0.00000000  0.75933300  1.0
  Cl  Cl30  1  0.50000000  0.50000000  0.74066700  1.0
  Cl  Cl31  1  0.00000000  0.00000000  0.24066700  1.0