# generated using pymatgen
data_Fe3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51144785
_cell_length_b   3.51144785
_cell_length_c   11.58449000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999719
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Se4
_chemical_formula_sum   'Fe3 Se4'
_cell_volume   123.70293646
_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  0.24574500  1.0
  Fe  Fe1  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.75425500  1.0
  Se  Se3  1  0.33333300  0.66666700  0.36886000  1.0
  Se  Se4  1  0.66666700  0.33333300  0.63114000  1.0
  Se  Se5  1  0.66666700  0.33333300  0.13569500  1.0
  Se  Se6  1  0.33333300  0.66666700  0.86430500  1.0