# generated using pymatgen
data_Fe21(WC3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40756567
_cell_length_b   7.40652480
_cell_length_c   7.40749901
_cell_angle_alpha   60.00178600
_cell_angle_beta   60.00295418
_cell_angle_gamma   60.00458398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe21(WC3)2
_chemical_formula_sum   'Fe21 W2 C6'
_cell_volume   287.39366900
_cell_formula_units_Z   1
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  0.61639300  0.61635400  0.15093300  1.0
  Fe  Fe1  1  0.38366400  0.38367800  0.38363300  1.0
  Fe  Fe2  1  0.66172500  0.99997400  0.33828300  1.0
  Fe  Fe3  1  0.99996200  0.99999500  0.33828400  1.0
  Fe  Fe4  1  0.33829800  0.99998200  0.66171400  1.0
  Fe  Fe5  1  0.33831200  0.00000200  0.99994700  1.0
  Fe  Fe6  1  0.99999900  0.33829400  0.00000400  1.0
  Fe  Fe7  1  0.66172700  0.00000500  0.00001500  1.0
  Fe  Fe8  1  0.00001000  0.33823500  0.66172300  1.0
  Fe  Fe9  1  0.33829200  0.66175300  0.99993900  1.0
  Fe  Fe10  1  0.61635500  0.15096600  0.61638100  1.0
  Fe  Fe11  1  0.99998400  0.66172500  0.00000900  1.0
  Fe  Fe12  1  0.61636400  0.61630500  0.61637100  1.0
  Fe  Fe13  1  0.15091600  0.61633500  0.61641800  1.0
  Fe  Fe14  1  0.00001300  0.00001300  0.99999000  1.0
  Fe  Fe15  1  0.00001900  0.00000400  0.66173800  1.0
  Fe  Fe16  1  0.38369200  0.84899500  0.38363200  1.0
  Fe  Fe17  1  0.84903100  0.38368600  0.38362800  1.0
  Fe  Fe18  1  0.66172200  0.33824000  0.00000500  1.0
  Fe  Fe19  1  0.99993500  0.66176300  0.33827900  1.0
  Fe  Fe20  1  0.38364800  0.38366300  0.84903600  1.0
  W  W21  1  0.24996400  0.25003100  0.24996700  1.0
  W  W22  1  0.74998100  0.74998000  0.75005100  1.0
  C  C23  1  0.28028000  0.71972100  0.28028600  1.0
  C  C24  1  0.28028200  0.28021300  0.71973900  1.0
  C  C25  1  0.28026100  0.71978800  0.71973200  1.0
  C  C26  1  0.71972100  0.28025000  0.28028300  1.0
  C  C27  1  0.71974100  0.71976800  0.28026300  1.0
  C  C28  1  0.71971100  0.28028000  0.71971700  1.0