# generated using pymatgen
data_Ni6Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86156342
_cell_length_b   17.01272076
_cell_length_c   11.81228518
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni6Se5
_chemical_formula_sum   'Ni48 Se40'
_cell_volume   1378.89367332
_cell_formula_units_Z   8
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
  Ni  Ni0  1  0.12715300  0.65347800  0.00418100  1
  Ni  Ni1  1  0.61425600  0.45890500  0.92414400  1
  Ni  Ni2  1  0.86592400  0.96213100  0.07206000  1
  Ni  Ni3  1  0.37670400  0.28317500  0.88004300  1
  Ni  Ni4  1  0.37075800  0.72778700  0.62293700  1
  Ni  Ni5  1  0.13924800  0.19247200  0.77943700  1
  Ni  Ni6  1  0.36687100  0.04247400  0.56954900  1
  Ni  Ni7  1  0.37284700  0.15347800  0.00418100  1
  Ni  Ni8  1  0.13312900  0.54247400  0.56954900  1
  Ni  Ni9  1  0.36592400  0.96213100  0.92794000  1
  Ni  Ni10  1  0.61299100  0.35495900  0.50508800  1
  Ni  Ni11  1  0.37841600  0.32651300  0.27557700  1
  Ni  Ni12  1  0.63312900  0.54247400  0.43045100  1
  Ni  Ni13  1  0.36075200  0.69247200  0.77943700  1
  Ni  Ni14  1  0.87841600  0.32651300  0.72442300  1
  Ni  Ni15  1  0.12710700  0.99003600  0.72440800  1
  Ni  Ni16  1  0.88700900  0.85495900  0.50508800  1
  Ni  Ni17  1  0.62158400  0.82651300  0.72442300  1
  Ni  Ni18  1  0.10812600  0.55047200  0.42237700  1
  Ni  Ni19  1  0.89187400  0.05047200  0.57762300  1
  Ni  Ni20  1  0.12924200  0.22778700  0.62293700  1
  Ni  Ni21  1  0.39187400  0.05047200  0.42237700  1
  Ni  Ni22  1  0.10808700  0.18867500  0.22335200  1
  Ni  Ni23  1  0.89191300  0.68867500  0.77664800  1
  Ni  Ni24  1  0.63924800  0.19247200  0.22056300  1
  Ni  Ni25  1  0.37289300  0.49003600  0.72440800  1
  Ni  Ni26  1  0.38574400  0.95890500  0.07585600  1
  Ni  Ni27  1  0.86075200  0.69247200  0.22056300  1
  Ni  Ni28  1  0.12329600  0.78317500  0.88004300  1
  Ni  Ni29  1  0.60812600  0.55047200  0.57762300  1
  Ni  Ni30  1  0.88574400  0.95890500  0.92414400  1
  Ni  Ni31  1  0.62329600  0.78317500  0.11995700  1
  Ni  Ni32  1  0.13407600  0.46213100  0.92794000  1
  Ni  Ni33  1  0.87670400  0.28317500  0.11995700  1
  Ni  Ni34  1  0.62715300  0.65347800  0.99581900  1
  Ni  Ni35  1  0.11299100  0.35495900  0.49491200  1
  Ni  Ni36  1  0.87289300  0.49003600  0.27559200  1
  Ni  Ni37  1  0.87075800  0.72778700  0.37706300  1
  Ni  Ni38  1  0.60808700  0.18867500  0.77664800  1
  Ni  Ni39  1  0.63407600  0.46213100  0.07206000  1
  Ni  Ni40  1  0.11425600  0.45890500  0.07585600  1
  Ni  Ni41  1  0.62710700  0.99003600  0.27559200  1
  Ni  Ni42  1  0.38700900  0.85495900  0.49491200  1
  Ni  Ni43  1  0.12158400  0.82651300  0.27557700  1
  Ni  Ni44  1  0.62924200  0.22778700  0.37706300  1
  Ni  Ni45  1  0.86687100  0.04247400  0.43045100  1
  Ni  Ni46  1  0.39191300  0.68867500  0.22335200  1
  Ni  Ni47  1  0.87284700  0.15347800  0.99581900  1
  Se  Se48  1  0.11064300  0.38562400  0.20336700  1
  Se  Se49  1  0.12789400  0.62581300  0.69298300  1
  Se  Se50  1  0.87210600  0.12581300  0.30701700  1
  Se  Se51  1  0.87372100  0.13035500  0.70166600  1
  Se  Se52  1  0.62923500  0.11469300  0.09558200  1
  Se  Se53  1  0.62503900  0.15212400  0.50721800  1
  Se  Se54  1  0.61756200  0.10744600  0.90107200  1
  Se  Se55  1  0.63344400  0.90595200  0.59947900  1
  Se  Se56  1  0.37076500  0.61469300  0.90441800  1
  Se  Se57  1  0.37210600  0.12581300  0.69298300  1
  Se  Se58  1  0.13344400  0.90595200  0.40052100  1
  Se  Se59  1  0.11756200  0.10744600  0.09892800  1
  Se  Se60  1  0.62627900  0.63035500  0.70166600  1
  Se  Se61  1  0.35689800  0.38532800  0.59956200  1
  Se  Se62  1  0.12503900  0.15212400  0.49278200  1
  Se  Se63  1  0.36655600  0.40595200  0.40052100  1
  Se  Se64  1  0.62789400  0.62581300  0.30701700  1
  Se  Se65  1  0.88243800  0.60744600  0.90107200  1
  Se  Se66  1  0.61064300  0.38562400  0.79663300  1
  Se  Se67  1  0.87496100  0.65212400  0.50721800  1
  Se  Se68  1  0.38935700  0.88562400  0.20336700  1
  Se  Se69  1  0.63925400  0.38816100  0.19971300  1
  Se  Se70  1  0.86655600  0.40595200  0.59947900  1
  Se  Se71  1  0.86074600  0.88816100  0.19971300  1
  Se  Se72  1  0.14310200  0.88532800  0.59956200  1
  Se  Se73  1  0.37372100  0.13035500  0.29833400  1
  Se  Se74  1  0.12592800  0.85602800  0.00998700  1
  Se  Se75  1  0.85689800  0.38532800  0.40043800  1
  Se  Se76  1  0.87407200  0.35602800  0.99001300  1
  Se  Se77  1  0.62592800  0.85602800  0.99001300  1
  Se  Se78  1  0.12627900  0.63035500  0.29833400  1
  Se  Se79  1  0.36074600  0.88816100  0.80028700  1
  Se  Se80  1  0.37496100  0.65212400  0.49278200  1
  Se  Se81  1  0.12923500  0.11469300  0.90441800  1
  Se  Se82  1  0.88935700  0.88562400  0.79663300  1
  Se  Se83  1  0.38243800  0.60744600  0.09892800  1
  Se  Se84  1  0.87076500  0.61469300  0.09558200  1
  Se  Se85  1  0.13925400  0.38816100  0.80028700  1
  Se  Se86  1  0.37407200  0.35602800  0.00998700  1
  Se  Se87  1  0.64310200  0.88532800  0.40043800  1
