# generated using pymatgen
data_FeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82854800
_cell_length_b   5.28430500
_cell_length_c   6.20670900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSe
_chemical_formula_sum   'Fe4 Se4'
_cell_volume   125.56926633
_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  0.75000000  0.48481300  0.28845300  1.0
  Fe  Fe1  1  0.75000000  0.98481300  0.21154700  1.0
  Fe  Fe2  1  0.25000000  0.51518700  0.71154700  1.0
  Fe  Fe3  1  0.25000000  0.01518700  0.78845300  1.0
  Se  Se4  1  0.75000000  0.28009900  0.91292300  1.0
  Se  Se5  1  0.75000000  0.78009900  0.58707700  1.0
  Se  Se6  1  0.25000000  0.71990100  0.08707700  1.0
  Se  Se7  1  0.25000000  0.21990100  0.41292300  1.0