# generated using pymatgen
data_FeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40127400
_cell_length_b   4.71253900
_cell_length_c   6.55706900
_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   136.00131807
_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  0.25000000  0.02584100  0.09626700  1.0
  Fe  Fe1  1  0.25000000  0.47415900  0.59626700  1.0
  Fe  Fe2  1  0.75000000  0.97415900  0.90373300  1.0
  Fe  Fe3  1  0.75000000  0.52584100  0.40373300  1.0
  Se  Se4  1  0.25000000  0.52148900  0.23118700  1.0
  Se  Se5  1  0.25000000  0.97851100  0.73118700  1.0
  Se  Se6  1  0.75000000  0.47851100  0.76881300  1.0
  Se  Se7  1  0.75000000  0.02148900  0.26881300  1.0