# generated using pymatgen
data_FeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05622022
_cell_length_b   3.85351935
_cell_length_c   6.59212516
_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   128.44256492
_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  0.49709500  0.24407500  1
  Fe  Fe1  1  0.75000000  0.99709500  0.25592500  1
  Fe  Fe2  1  0.25000000  0.50290500  0.75592500  1
  Fe  Fe3  1  0.25000000  0.00290500  0.74407500  1
  Se  Se4  1  0.75000000  0.24133000  0.91602700  1
  Se  Se5  1  0.75000000  0.74133000  0.58397300  1
  Se  Se6  1  0.25000000  0.75867000  0.08397300  1
  Se  Se7  1  0.25000000  0.25867000  0.41602700  1
