# generated using pymatgen
data_Fe(NiSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.17340688
_cell_length_b   3.60023094
_cell_length_c   6.22255276
_cell_angle_alpha   90.00000000
_cell_angle_beta   119.53725538
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(NiSe2)2
_chemical_formula_sum   'Fe2 Ni4 Se8'
_cell_volume   237.27280858
_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
  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe1  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni2  1  0.73936800  0.00000000  0.71315200  1
  Ni  Ni3  1  0.76063200  0.50000000  0.28684800  1
  Ni  Ni4  1  0.23936800  0.50000000  0.71315200  1
  Ni  Ni5  1  0.26063200  0.00000000  0.28684800  1
  Se  Se6  1  0.88309500  0.00000000  0.54940100  1
  Se  Se7  1  0.61690500  0.50000000  0.45059900  1
  Se  Se8  1  0.63637400  0.00000000  0.97730100  1
  Se  Se9  1  0.86362600  0.50000000  0.02269900  1
  Se  Se10  1  0.38309500  0.50000000  0.54940100  1
  Se  Se11  1  0.11690500  0.00000000  0.45059900  1
  Se  Se12  1  0.13637400  0.50000000  0.97730100  1
  Se  Se13  1  0.36362600  0.00000000  0.02269900  1
