# generated using pymatgen
data_NiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02597256
_cell_length_b   6.04786403
_cell_length_c   6.00465616
_cell_angle_alpha   90.00245704
_cell_angle_beta   89.99913669
_cell_angle_gamma   89.99975284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSe2
_chemical_formula_sum   'Ni4 Se8'
_cell_volume   218.83526635
_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
  Ni  Ni0  1  0.00000000  -0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.50000000  -0.00000000  0.50000000  1.0
  Ni  Ni2  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni3  1  0.00000000  0.50000000  0.50000000  1.0
  Se  Se4  1  0.38544456  0.38477606  0.38674452  1.0
  Se  Se5  1  0.11456467  0.61520584  0.88675844  1.0
  Se  Se6  1  0.88543324  0.11522982  0.61327133  1.0
  Se  Se7  1  0.61455821  0.88477358  0.11327574  1.0
  Se  Se8  1  0.61455544  0.61522394  0.61325548  1.0
  Se  Se9  1  0.88543533  0.38479416  0.11324156  1.0
  Se  Se10  1  0.11456676  0.88477018  0.38672867  1.0
  Se  Se11  1  0.38544179  0.11522642  0.88672426  1.0