# generated using pymatgen
data_FeNiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85243513
_cell_length_b   5.87560736
_cell_length_c   5.84635550
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.24477578
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiSe4
_chemical_formula_sum   'Fe2 Ni2 Se8'
_cell_volume   201.03451733
_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  0.50000000  0.50000000  1
  Fe  Fe1  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni2  1  0.50000000  0.50000000  -0.00000000  1
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1
  Se  Se4  1  0.61723200  0.12023000  0.86952000  1
  Se  Se5  1  0.88276800  0.62023000  0.13048000  1
  Se  Se6  1  0.12942600  0.87140700  0.61714500  1
  Se  Se7  1  0.37057400  0.37140700  0.38285500  1
  Se  Se8  1  0.38276800  0.87977000  0.13048000  1
  Se  Se9  1  0.11723200  0.37977000  0.86952000  1
  Se  Se10  1  0.87057400  0.12859300  0.38285500  1
  Se  Se11  1  0.62942600  0.62859300  0.61714500  1
