# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52072029
_cell_length_b   4.56731977
_cell_length_c   51.46140757
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe20 C10'
_cell_volume   592.471871128
_cell_formula_units_Z   10
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  Fe1  1  -0.000052  0.350740  0.346284  1
  Fe  Fe2  1  -0.000052  0.646822  0.305425  1
  Fe  Fe3  1  0.499948  0.851305  0.350510  1
  Fe  Fe4  1  0.499948  0.155219  0.301010  1
  Fe  Fe5  1  0.999948  0.351368  0.437226  1
  Fe  Fe6  1  -0.000052  0.650051  0.396005  1
  Fe  Fe7  1  0.499948  0.851366  0.441492  1
  Fe  Fe8  1  0.499948  0.150067  0.391742  1
  Fe  Fe9  1  -0.000052  0.351366  0.528197  1
  Fe  Fe10  1  0.999948  0.650044  0.486977  1
  Fe  Fe11  1  0.499948  0.851367  0.532462  1
  Fe  Fe12  1  0.499948  0.150044  0.482711  1
  Fe  Fe13  1  0.999948  0.351359  0.619167  1
  Fe  Fe14  1  -0.000052  0.650035  0.577948  1
  Fe  Fe15  1  0.499948  0.851484  0.623438  1
  Fe  Fe16  1  0.499948  0.150043  0.573682  1
  Fe  Fe17  1  0.999948  0.351937  0.710033  1
  Fe  Fe18  1  0.999948  0.649766  0.668931  1
  Fe  Fe19  1  0.499948  0.832543  0.713459  1
  Fe  Fe20  1  0.499948  0.150403  0.664691  1
  C  C21  1  0.999948  0.000441  0.325625  1
  C  C22  1  0.499948  0.504656  0.280211  1
  C  C23  1  -0.000052  0.000706  0.416616  1
  C  C24  1  0.499948  0.500714  0.371130  1
  C  C25  1  0.999948  0.000705  0.507587  1
  C  C26  1  0.499948  0.500705  0.462101  1
  C  C27  1  0.999948  0.000701  0.598557  1
  C  C28  1  0.499948  0.500705  0.553072  1
  C  C29  1  -0.000052  0.000462  0.689537  1
  C  C30  1  0.499948  0.500762  0.644040  1
