data_[Ho24C8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9563]
_cell_length_b [11.3092]
_cell_length_c [6.4281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho3CSe]
_chemical_formula_sum '[Ho24 C8 Se8]'
_cell_volume [931.8837]
_cell_formula_units_Z [8]
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  0.1034  0.2363  0.1112  1.0
  Ho  Ho1  8  0.1038  0.0815  0.6110  1.0
  Ho  Ho2  8  0.1105  0.3946  0.6263  1.0
  Se  Se3  8  0.2442  0.4180  0.0114  1.0
  C  C4  4  0.0000  0.0790  0.2500  1.0
  C  C5  4  0.0000  0.2508  0.7500  1.0
]