# generated using pymatgen
data_Nb4NiSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98649310
_cell_length_b   6.98649261
_cell_length_c   12.61410541
_cell_angle_alpha   89.99993177
_cell_angle_beta   90.00008129
_cell_angle_gamma   119.99965110
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4NiSe8
_chemical_formula_sum   'Nb8 Ni2 Se16'
_cell_volume   533.22076420
_cell_formula_units_Z   2
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  -0.00000058  0.00000075  0.24998108  1.0
  Nb  Nb1  1  0.00000000  -0.00000045  0.75002116  1.0
  Nb  Nb2  1  0.50964936  0.01929456  0.24997799  1.0
  Nb  Nb3  1  0.98070493  0.49035063  0.24997799  1.0
  Nb  Nb4  1  0.50964600  0.49035312  0.24997703  1.0
  Nb  Nb5  1  0.49035679  0.98071741  0.75002280  1.0
  Nb  Nb6  1  0.01928279  0.50964090  0.75002278  1.0
  Nb  Nb7  1  0.49036196  0.50964139  0.75002191  1.0
  Ni  Ni8  1  0.00000026  -0.00000028  0.50000062  1.0
  Ni  Ni9  1  0.00000036  -0.00000031  0.00000459  1.0
  Se  Se10  1  0.33333157  0.66666885  0.88781011  1.0
  Se  Se11  1  0.66666712  0.33333215  0.11218013  1.0
  Se  Se12  1  0.66666711  0.33333337  0.38778848  1.0
  Se  Se13  1  0.33333225  0.66666827  0.61221090  1.0
  Se  Se14  1  0.16777831  0.83222444  0.38057958  1.0
  Se  Se15  1  0.16777499  0.33555168  0.38058081  1.0
  Se  Se16  1  0.66444821  0.83222122  0.38058074  1.0
  Se  Se17  1  0.83223243  0.16777079  0.61941666  1.0
  Se  Se18  1  0.83222872  0.66446168  0.61941642  1.0
  Se  Se19  1  0.33553840  0.16776879  0.61941668  1.0
  Se  Se20  1  0.83220763  0.16778713  0.88062063  1.0
  Se  Se21  1  0.83221218  0.66442106  0.88062106  1.0
  Se  Se22  1  0.33557856  0.16779358  0.88062081  1.0
  Se  Se23  1  0.16779719  0.83220623  0.11938462  1.0
  Se  Se24  1  0.16779226  0.33558715  0.11938215  1.0
  Se  Se25  1  0.66441320  0.83220388  0.11938226  1.0