# generated using pymatgen
data_Fe2NiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.06119053
_cell_length_b   3.56959864
_cell_length_c   6.19681809
_cell_angle_alpha   90.00000000
_cell_angle_beta   119.87064042
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiSe4
_chemical_formula_sum   'Fe4 Ni2 Se8'
_cell_volume   231.35217062
_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  0.49828000  0.50000000  0.00122400  1
  Fe  Fe1  1  0.26028200  0.00000000  0.28106000  1
  Fe  Fe2  1  0.99828000  0.00000000  0.00122400  1
  Fe  Fe3  1  0.76028200  0.50000000  0.28106000  1
  Ni  Ni4  1  0.23876100  0.50000000  0.71462600  1
  Ni  Ni5  1  0.73876100  0.00000000  0.71462600  1
  Se  Se6  1  0.37933800  0.50000000  0.54120600  1
  Se  Se7  1  0.11995300  0.00000000  0.44954900  1
  Se  Se8  1  0.13687900  0.50000000  0.97976400  1
  Se  Se9  1  0.36650800  0.00000000  0.03257200  1
  Se  Se10  1  0.87933800  0.00000000  0.54120600  1
  Se  Se11  1  0.61995300  0.50000000  0.44954900  1
  Se  Se12  1  0.63687900  0.00000000  0.97976400  1
  Se  Se13  1  0.86650800  0.50000000  0.03257200  1
