# generated using pymatgen
data_Fe9Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19898900
_cell_length_b   7.19898900
_cell_length_c   6.06291100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe9Se8
_chemical_formula_sum   'Fe9 Se8'
_cell_volume   314.21304615
_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  0.24275200  0.23215400  1.0
  Fe  Fe1  1  0.00000000  0.75724800  0.23215400  1.0
  Fe  Fe2  1  0.75724800  0.00000000  0.23215400  1.0
  Fe  Fe3  1  0.24275200  0.00000000  0.23215400  1.0
  Fe  Fe4  1  0.75142300  0.50000000  0.24932500  1.0
  Fe  Fe5  1  0.24857700  0.50000000  0.24932500  1.0
  Fe  Fe6  1  0.50000000  0.24857700  0.24932500  1.0
  Fe  Fe7  1  0.50000000  0.75142300  0.24932500  1.0
  Fe  Fe8  1  0.00000000  0.00000000  0.56309700  1.0
  Se  Se9  1  0.75228500  0.24771500  0.49328200  1.0
  Se  Se10  1  0.24771500  0.75228500  0.49328200  1.0
  Se  Se11  1  0.24771500  0.24771500  0.49328200  1.0
  Se  Se12  1  0.75228500  0.75228500  0.49328200  1.0
  Se  Se13  1  0.00000000  0.00000000  0.95785100  1.0
  Se  Se14  1  0.00000000  0.50000000  0.99863000  1.0
  Se  Se15  1  0.50000000  0.00000000  0.99863000  1.0
  Se  Se16  1  0.50000000  0.50000000  0.00934600  1.0