# generated using pymatgen
data_Fe3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.22537964
_cell_length_b   3.45382248
_cell_length_c   6.07710762
_cell_angle_alpha   90.00000000
_cell_angle_beta   116.60403847
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Se4
_chemical_formula_sum   'Fe6 Se8'
_cell_volume   229.43327378
_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  0.23883000  0.00000000  0.19064200  1
  Fe  Fe2  1  0.26117000  0.50000000  0.80935800  1
  Fe  Fe3  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe4  1  0.73883000  0.50000000  0.19064200  1
  Fe  Fe5  1  0.76117000  0.00000000  0.80935800  1
  Se  Se6  1  0.36471900  0.50000000  0.52190800  1
  Se  Se7  1  0.13528100  0.00000000  0.47809200  1
  Se  Se8  1  0.39420900  0.00000000  0.05979200  1
  Se  Se9  1  0.10579100  0.50000000  0.94020800  1
  Se  Se10  1  0.86471900  0.00000000  0.52190800  1
  Se  Se11  1  0.63528100  0.50000000  0.47809200  1
  Se  Se12  1  0.89420900  0.50000000  0.05979200  1
  Se  Se13  1  0.60579100  0.00000000  0.94020800  1
