data_[U4Fe6C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3989]
_cell_length_b [3.1407]
_cell_length_c [6.4460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U2Fe3C2]
_chemical_formula_sum '[U4 Fe6 C4]'
_cell_volume [166.6614]
_cell_formula_units_Z [2]
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
[
  U  U0  4  0.1552  0.0000  0.8129  1
  Fe  Fe1  4  0.1287  0.5000  0.4391  1
  Fe  Fe2  2  0.0000  0.5000  0.0000  1
  C  C3  4  0.1441  0.0000  0.2300  1
]