# generated using pymatgen
data_Nb6InSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18682849
_cell_length_b   10.18649379
_cell_length_c   3.49426992
_cell_angle_alpha   89.99992104
_cell_angle_beta   89.99960070
_cell_angle_gamma   119.99961234
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6InSe8
_chemical_formula_sum   'Nb6 In1 Se8'
_cell_volume   314.01652033
_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  0.48636547  0.10474434  0.49999805  1.0
  Nb  Nb1  1  0.89526467  0.38163967  0.49999829  1.0
  Nb  Nb2  1  0.61837034  0.51363020  0.49999815  1.0
  Nb  Nb3  1  0.51197211  0.89548098  -0.00000211  1.0
  Nb  Nb4  1  0.10452742  0.61648848  -0.00000195  1.0
  Nb  Nb5  1  0.38350196  0.48801935  -0.00000207  1.0
  In  In6  1  0.00000135  0.00001235  0.49999807  1.0
  Se  Se7  1  0.33333917  0.66661818  0.49999802  1.0
  Se  Se8  1  0.66666986  0.33334030  -0.00000163  1.0
  Se  Se9  1  0.34123962  0.28177444  0.50002676  1.0
  Se  Se10  1  0.71823523  0.05947478  0.49999792  1.0
  Se  Se11  1  0.94053277  0.65876953  0.49999766  1.0
  Se  Se12  1  0.66013454  0.72013851  -0.00000187  1.0
  Se  Se13  1  0.27986659  0.94001834  -0.00000173  1.0
  Se  Se14  1  0.05997990  0.33984953  -0.00000156  1.0