data_[Y4Fe34C3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4462]
_cell_length_b [6.4782]
_cell_length_c [12.9137]
_cell_angle_alpha [83.6730]
_cell_angle_beta [83.2684]
_cell_angle_gamma [83.7752]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y4Fe34C3]
_chemical_formula_sum '[Y4 Fe34 C3]'
_cell_volume [529.7942]
_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
[
  Y  Y0  2  0.3397  0.3394  0.9248  1
  Y  Y1  2  0.3470  0.3368  0.4230  1
  Fe  Fe2  2  0.0010  0.7146  0.3922  1
  Fe  Fe3  2  0.0012  0.7132  0.8940  1
  Fe  Fe4  2  0.0019  0.4995  0.7510  1
  Fe  Fe5  2  0.0958  0.0959  0.7990  1
  Fe  Fe6  2  0.0963  0.0971  0.2981  1
  Fe  Fe7  2  0.1474  0.6584  0.5786  1
  Fe  Fe8  2  0.1479  0.6560  0.0771  1
  Fe  Fe9  2  0.2840  0.7148  0.2502  1
  Fe  Fe10  2  0.2847  0.7151  0.7504  1
  Fe  Fe11  2  0.2861  0.0012  0.6071  1
  Fe  Fe12  2  0.2879  0.9983  0.1060  1
  Fe  Fe13  2  0.3421  0.3427  0.1751  1
  Fe  Fe14  2  0.3440  0.3411  0.6772  1
  Fe  Fe15  2  0.3444  0.8514  0.9229  1
  Fe  Fe16  2  0.3450  0.8543  0.4226  1
  Fe  Fe17  2  0.5000  0.9992  0.7504  1
  Fe  Fe18  1  0.0000  0.0000  0.0000  1
  Fe  Fe19  1  0.0000  0.0000  0.5000  1
  C  C20  2  0.4995  0.4992  0.2495  1
  C  C21  1  0.0000  0.5000  0.5000  1
]