data_[Ho8Fe4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.4467]
_cell_length_b [9.5500]
_cell_length_c [5.0031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ho2FeC4]
_chemical_formula_sum '[Ho8 Fe4 C16]'
_cell_volume [355.7981]
_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
[
  Ho  Ho0  8  0.1562  0.3553  0.0000  1.0
  Fe  Fe1  4  0.0000  0.0000  0.2500  1.0
  C  C2  8  0.1617  0.3712  0.5000  1.0
  C  C3  8  0.1658  0.0776  0.0000  1.0
]