# generated using pymatgen
data_Nb12PbSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08173500
_cell_length_b   10.05810011
_cell_length_c   10.66068117
_cell_angle_alpha   118.12479629
_cell_angle_beta   109.36272830
_cell_angle_gamma   90.00831686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb12PbSe16
_chemical_formula_sum   'Nb12 Pb1 Se16'
_cell_volume   620.54023793
_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  0.92867600  0.48704900  0.10670100  1.0
  Nb  Nb1  1  0.42871200  0.48692600  0.10709600  1.0
  Nb  Nb2  1  0.13090900  0.61961200  0.51280200  1.0
  Nb  Nb3  1  0.63299900  0.62253400  0.51286400  1.0
  Nb  Nb4  1  0.06718500  0.89287000  0.37929300  1.0
  Nb  Nb5  1  0.56419900  0.89381700  0.38133900  1.0
  Nb  Nb6  1  0.57128800  0.51307400  0.89290400  1.0
  Nb  Nb7  1  0.07132400  0.51295100  0.89329900  1.0
  Nb  Nb8  1  0.36700100  0.37746600  0.48713600  1.0
  Nb  Nb9  1  0.86909100  0.38038800  0.48719800  1.0
  Nb  Nb10  1  0.43580100  0.10618300  0.61866100  1.0
  Nb  Nb11  1  0.93281500  0.10713000  0.62070700  1.0
  Pb  Pb12  1  0.50000000  0.00000000  0.00000000  1.0
  Se  Se13  1  0.51263200  0.33577000  0.27846500  1.0
  Se  Se14  1  0.01492000  0.33779100  0.27953600  1.0
  Se  Se15  1  0.70602800  0.94054000  0.66183500  1.0
  Se  Se16  1  0.20497600  0.94259300  0.66405600  1.0
  Se  Se17  1  0.40202800  0.72181000  0.05768900  1.0
  Se  Se18  1  0.90476300  0.72065600  0.05930800  1.0
  Se  Se19  1  0.98508000  0.66220900  0.72046400  1.0
  Se  Se20  1  0.48736800  0.66423000  0.72153500  1.0
  Se  Se21  1  0.79502400  0.05740700  0.33594400  1.0
  Se  Se22  1  0.29397200  0.05946000  0.33816500  1.0
  Se  Se23  1  0.09523700  0.27934400  0.94069200  1.0
  Se  Se24  1  0.59797200  0.27819000  0.94231100  1.0
  Se  Se25  1  0.70852000  0.33398800  0.66619200  1.0
  Se  Se26  1  0.20784900  0.33277600  0.66641600  1.0
  Se  Se27  1  0.79215100  0.66722400  0.33358400  1.0
  Se  Se28  1  0.29148000  0.66601200  0.33380800  1.0