data_[Y8Fe4C16]
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 [Ibam]
_cell_length_a [7.4881]
_cell_length_b [9.6882]
_cell_length_c [5.0438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Y2FeC4]
_chemical_formula_sum '[Y8 Fe4 C16]'
_cell_volume [365.9084]
_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
[
  Y  Y0  8  0.1575  0.3544  0.0000  1.0
  Fe  Fe1  4  0.0000  0.0000  0.2500  1.0
  C  C2  8  0.1633  0.3718  0.5000  1.0
  C  C3  8  0.1654  0.0770  0.0000  1.0
]