# generated using pymatgen
data_Fe7Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26311106
_cell_length_b   7.26311106
_cell_length_c   16.02479400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7Se8
_chemical_formula_sum   'Fe21 Se24'
_cell_volume   732.09664255
_cell_formula_units_Z   3
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  0.98668300  0.98668300  0.00000000  1.0
  Fe  Fe1  1  0.01331700  0.00000000  0.33333300  1.0
  Fe  Fe2  1  0.00000000  0.01331700  0.66666700  1.0
  Fe  Fe3  1  0.51285200  0.99612900  0.00463100  1.0
  Fe  Fe4  1  0.00387100  0.51672300  0.33796400  1.0
  Fe  Fe5  1  0.48327700  0.48714800  0.67129700  1.0
  Fe  Fe6  1  0.99612900  0.51285200  0.99536900  1.0
  Fe  Fe7  1  0.48714800  0.48327700  0.32870300  1.0
  Fe  Fe8  1  0.51672300  0.00387100  0.66203600  1.0
  Fe  Fe9  1  0.00000000  0.02956800  0.16666700  1.0
  Fe  Fe10  1  0.97043200  0.97043200  0.50000000  1.0
  Fe  Fe11  1  0.02956800  0.00000000  0.83333300  1.0
  Fe  Fe12  1  0.52781800  0.52781800  0.50000000  1.0
  Fe  Fe13  1  0.47218200  0.00000000  0.83333300  1.0
  Fe  Fe14  1  0.00000000  0.47218200  0.16666700  1.0
  Fe  Fe15  1  0.51943700  0.00642100  0.17054600  1.0
  Fe  Fe16  1  0.99357900  0.51301600  0.50387900  1.0
  Fe  Fe17  1  0.48698400  0.48056300  0.83721200  1.0
  Fe  Fe18  1  0.51301600  0.99357900  0.49612100  1.0
  Fe  Fe19  1  0.00642100  0.51943700  0.82945400  1.0
  Fe  Fe20  1  0.48056300  0.48698400  0.16278800  1.0
  Se  Se21  1  0.16650700  0.34238000  0.07629300  1.0
  Se  Se22  1  0.65762000  0.82412700  0.40962700  1.0
  Se  Se23  1  0.17587300  0.83349300  0.74296000  1.0
  Se  Se24  1  0.17109700  0.33956200  0.42556500  1.0
  Se  Se25  1  0.66043800  0.83153400  0.75889900  1.0
  Se  Se26  1  0.16846600  0.82890300  0.09223200  1.0
  Se  Se27  1  0.16203900  0.33751800  0.75558000  1.0
  Se  Se28  1  0.66248200  0.82452200  0.08891300  1.0
  Se  Se29  1  0.17547800  0.83796100  0.42224600  1.0
  Se  Se30  1  0.33751800  0.16203900  0.24442000  1.0
  Se  Se31  1  0.83796100  0.17547800  0.57775400  1.0
  Se  Se32  1  0.82452200  0.66248200  0.91108700  1.0
  Se  Se33  1  0.33956200  0.17109700  0.57443500  1.0
  Se  Se34  1  0.82890300  0.16846600  0.90776800  1.0
  Se  Se35  1  0.83153400  0.66043800  0.24110100  1.0
  Se  Se36  1  0.34238000  0.16650700  0.92370700  1.0
  Se  Se37  1  0.83349300  0.17587300  0.25704000  1.0
  Se  Se38  1  0.82412700  0.65762000  0.59037300  1.0
  Se  Se39  1  0.67334000  0.33588400  0.08737700  1.0
  Se  Se40  1  0.66411600  0.33745700  0.42071100  1.0
  Se  Se41  1  0.66254300  0.32666000  0.75404400  1.0
  Se  Se42  1  0.32666000  0.66254300  0.24595600  1.0
  Se  Se43  1  0.33745700  0.66411600  0.57928900  1.0
  Se  Se44  1  0.33588400  0.67334000  0.91262300  1.0