# generated using pymatgen
data_Fe3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34339947
_cell_length_b   6.34339947
_cell_length_c   6.08209106
_cell_angle_alpha   64.51563410
_cell_angle_beta   64.51563410
_cell_angle_gamma   31.57511815
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Se4
_chemical_formula_sum   'Fe3 Se4'
_cell_volume   114.62378706
_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  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.26144500  0.26144500  0.69026300  1.0
  Fe  Fe2  1  0.73855500  0.73855500  0.30973700  1.0
  Se  Se3  1  0.36505500  0.36505500  0.97754700  1.0
  Se  Se4  1  0.63494500  0.63494500  0.02245300  1.0
  Se  Se5  1  0.10486200  0.10486200  0.56019100  1.0
  Se  Se6  1  0.89513800  0.89513800  0.43980900  1.0