# generated using pymatgen
data_Fe7Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64625546
_cell_length_b   7.96357602
_cell_length_c   12.53700437
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7Se3
_chemical_formula_sum   'Fe28 Se12'
_cell_volume   563.71868602
_cell_formula_units_Z   4
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  0.48206700  0.50831100  0.19664600  1
  Fe  Fe1  1  0.68100000  0.41309600  0.00862100  1
  Fe  Fe2  1  0.25177600  0.25000000  0.29908200  1
  Fe  Fe3  1  0.18100000  0.08690400  0.49137900  1
  Fe  Fe4  1  0.01793300  0.49168900  0.69664600  1
  Fe  Fe5  1  0.81715500  0.25000000  0.81361600  1
  Fe  Fe6  1  0.18284500  0.75000000  0.18638400  1
  Fe  Fe7  1  0.13790700  0.75000000  0.59893500  1
  Fe  Fe8  1  0.51793300  0.00831100  0.80335400  1
  Fe  Fe9  1  0.74822400  0.75000000  0.70091800  1
  Fe  Fe10  1  0.51793300  0.49168900  0.80335400  1
  Fe  Fe11  1  0.86209300  0.25000000  0.40106500  1
  Fe  Fe12  1  0.31715500  0.25000000  0.68638400  1
  Fe  Fe13  1  0.01793300  0.00831100  0.69664600  1
  Fe  Fe14  1  0.98206700  0.50831100  0.30335400  1
  Fe  Fe15  1  0.68284500  0.75000000  0.31361600  1
  Fe  Fe16  1  0.81900000  0.91309600  0.50862100  1
  Fe  Fe17  1  0.98206700  0.99168900  0.30335400  1
  Fe  Fe18  1  0.81900000  0.58690400  0.50862100  1
  Fe  Fe19  1  0.31900000  0.58690400  0.99137900  1
  Fe  Fe20  1  0.68100000  0.08690400  0.00862100  1
  Fe  Fe21  1  0.24822400  0.75000000  0.79908200  1
  Fe  Fe22  1  0.63790700  0.75000000  0.90106500  1
  Fe  Fe23  1  0.75177600  0.25000000  0.20091800  1
  Fe  Fe24  1  0.48206700  0.99168900  0.19664600  1
  Fe  Fe25  1  0.31900000  0.91309600  0.99137900  1
  Fe  Fe26  1  0.18100000  0.41309600  0.49137900  1
  Fe  Fe27  1  0.36209300  0.25000000  0.09893500  1
  Se  Se28  1  0.61997500  0.75000000  0.09930100  1
  Se  Se29  1  0.11997500  0.75000000  0.40069900  1
  Se  Se30  1  0.95248500  0.53823400  0.87823200  1
  Se  Se31  1  0.54751500  0.46176600  0.37823200  1
  Se  Se32  1  0.04751500  0.46176600  0.12176800  1
  Se  Se33  1  0.88002500  0.25000000  0.59930100  1
  Se  Se34  1  0.45248500  0.53823400  0.62176800  1
  Se  Se35  1  0.54751500  0.03823400  0.37823200  1
  Se  Se36  1  0.95248500  0.96176600  0.87823200  1
  Se  Se37  1  0.04751500  0.03823400  0.12176800  1
  Se  Se38  1  0.38002500  0.25000000  0.90069900  1
  Se  Se39  1  0.45248500  0.96176600  0.62176800  1
