data_[Ho4Fe34C2]
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 [C2/m]
_cell_length_a [9.6099]
_cell_length_b [8.6041]
_cell_length_c [6.4058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Fe17C]
_chemical_formula_sum '[Ho4 Fe34 C2]'
_cell_volume [522.9016]
_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
[
  Ho  Ho0  4  0.1606  0.5000  0.3472  1.0
  Fe  Fe1  8  0.0955  0.2463  0.6568  1.0
  Fe  Fe2  8  0.1455  0.1456  0.2917  1.0
  Fe  Fe3  4  0.0000  0.2854  0.0000  1.0
  Fe  Fe4  4  0.0969  0.0000  0.9031  1.0
  Fe  Fe5  4  0.1574  0.5000  0.8488  1.0
  Fe  Fe6  4  0.2500  0.2500  0.0000  1.0
  Fe  Fe7  2  0.0000  0.0000  0.5000  1.0
  C  C8  2  0.0000  0.5000  0.0000  1.0
]