# generated using pymatgen
data_NiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.00134832
_cell_length_b   10.00134832
_cell_length_c   3.33495214
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSe
_chemical_formula_sum   'Ni9 Se9'
_cell_volume   288.89321571
_cell_formula_units_Z   9
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  0.24802100  0.75197900  0.75956500  1
  Ni  Ni1  1  0.91468800  0.82937500  0.09289900  1
  Ni  Ni2  1  0.50395800  0.75197900  0.75956500  1
  Ni  Ni3  1  0.91468800  0.08531200  0.09289900  1
  Ni  Ni4  1  0.58135400  0.16270900  0.42623200  1
  Ni  Ni5  1  0.17062500  0.08531200  0.09289900  1
  Ni  Ni6  1  0.58135400  0.41864600  0.42623200  1
  Ni  Ni7  1  0.24802100  0.49604200  0.75956500  1
  Ni  Ni8  1  0.83729100  0.41864600  0.42623200  1
  Se  Se9  1  0.11326300  0.88673700  0.61110100  1
  Se  Se10  1  0.77993000  0.55986000  0.94443500  1
  Se  Se11  1  0.77347300  0.88673700  0.61110100  1
  Se  Se12  1  0.77993000  0.22007000  0.94443500  1
  Se  Se13  1  0.44659700  0.89319400  0.27776800  1
  Se  Se14  1  0.44014000  0.22007000  0.94443500  1
  Se  Se15  1  0.44659700  0.55340300  0.27776800  1
  Se  Se16  1  0.11326300  0.22652700  0.61110100  1
  Se  Se17  1  0.10680600  0.55340300  0.27776800  1
