data_[Er4U8Fe4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [Cmcm]
_cell_length_a [3.4999]
_cell_length_b [11.0899]
_cell_length_c [11.4981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ErU2FeC4]
_chemical_formula_sum '[Er4 U8 Fe4 C16]'
_cell_volume [446.2846]
_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
[
  Er  Er0  4  0.0000  0.1057  0.7500  1
  U  U1  8  0.0000  0.3695  0.5510  1
  Fe  Fe2  4  0.0000  0.1587  0.2500  1
  C  C3  8  0.0000  0.2605  0.1229  1
  C  C4  4  0.0000  0.0000  0.0000  1
  C  C5  4  0.0000  0.4328  0.7500  1
]