# generated using pymatgen
data_Fe2NiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28916398
_cell_length_b   6.28916398
_cell_length_c   6.19681855
_cell_angle_alpha   61.47336763
_cell_angle_beta   61.47336763
_cell_angle_gamma   32.97301523
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiSe4
_chemical_formula_sum   'Fe2 Ni1 Se4'
_cell_volume   115.67606725
_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  0.99828000  0.99828000  0.99877600  1.0
  Fe  Fe1  1  0.26028200  0.26028200  0.71894000  1.0
  Ni  Ni2  1  0.73876100  0.73876100  0.28537400  1.0
  Se  Se3  1  0.87933800  0.87933800  0.45879400  1.0
  Se  Se4  1  0.11995300  0.11995300  0.55045100  1.0
  Se  Se5  1  0.63687900  0.63687900  0.02023600  1.0
  Se  Se6  1  0.36650800  0.36650800  0.96742800  1.0