# generated using pymatgen
data_FeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80881961
_cell_length_b   5.78316938
_cell_length_c   3.60059065
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSe2
_chemical_formula_sum   'Fe2 Se4'
_cell_volume   100.13321207
_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  0.00000000  0.00000000  1
  Fe  Fe1  1  0.50000000  0.50000000  0.50000000  1
  Se  Se2  1  0.00000000  0.21825100  0.36719600  1
  Se  Se3  1  0.00000000  0.78174900  0.63280400  1
  Se  Se4  1  0.50000000  0.71825100  0.13280400  1
  Se  Se5  1  0.50000000  0.28174900  0.86719600  1
