# generated using pymatgen
data_Fe2NiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45792656
_cell_length_b   6.03881570
_cell_length_c   6.44684044
_cell_angle_alpha   116.31677806
_cell_angle_beta   104.41555240
_cell_angle_gamma   90.62448415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiSe4
_chemical_formula_sum   'Fe2 Ni1 Se4'
_cell_volume   115.72385772
_cell_formula_units_Z   1
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  0.24461000  0.41064800  0.41518400  1
  Fe  Fe1  1  0.74717000  0.01957400  0.43773000  1
  Ni  Ni2  1  0.51754200  0.71287000  0.93789800  1
  Se  Se3  1  0.14260500  0.69270000  0.20893400  1
  Se  Se4  1  0.37887300  0.26609000  0.70780200  1
  Se  Se5  1  0.61495500  0.16446500  0.14476400  1
  Se  Se6  1  0.85424500  0.73365400  0.64768800  1
