# generated using pymatgen
data_Fe3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55057208
_cell_length_b   5.25185802
_cell_length_c   5.58367660
_cell_angle_alpha   88.08437778
_cell_angle_beta   66.40153041
_cell_angle_gamma   65.34049147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Se4
_chemical_formula_sum   'Fe3 Se4'
_cell_volume   109.69334712
_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  0.32083600  0.26870600  0.36238900  1
  Fe  Fe1  1  -0.00000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.67916400  0.73129400  0.63761100  1
  Se  Se3  1  0.66620900  0.02590600  0.30580900  1
  Se  Se4  1  0.11868100  0.33124800  0.91964400  1
  Se  Se5  1  0.88131900  0.66875200  0.08035600  1
  Se  Se6  1  0.33379100  0.97409400  0.69419100  1
