data_[Ho4Fe4C8]
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 [Cc]
_cell_length_a [5.1708]
_cell_length_b [5.1692]
_cell_length_c [7.3347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [HoFeC2]
_chemical_formula_sum '[Ho4 Fe4 C8]'
_cell_volume [192.8805]
_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  4  0.0026  0.0672  0.9954  1.0
  Fe  Fe1  4  0.0554  0.4340  0.6945  1.0
  C  C2  4  0.3257  0.1873  0.7748  1.0
  C  C3  4  0.4828  0.0724  0.9322  1.0
]