data_[Ho12Ge22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0035]
_cell_length_b [4.0558]
_cell_length_c [45.6578]
_cell_angle_alpha [89.2443]
_cell_angle_beta [89.6805]
_cell_angle_gamma [89.9686]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ho6Ge11]
_chemical_formula_sum '[Ho12 Ge22]'
_cell_volume [741.2951]
_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  1  0.2526  0.4076  0.8805  1
  Ho  Ho1  1  0.2548  0.4178  0.5531  1
  Ho  Ho2  1  0.2596  0.3534  0.2090  1
  Ho  Ho3  1  0.2673  0.8060  0.2830  1
  Ho  Ho4  1  0.2677  0.9867  0.9701  1
  Ho  Ho5  1  0.2689  0.9851  0.6384  1
  Ho  Ho6  1  0.7520  0.5788  0.7899  1
  Ho  Ho7  1  0.7537  0.6566  0.4569  1
  Ho  Ho8  1  0.7555  0.5653  0.1190  1
  Ho  Ho9  1  0.7633  0.0393  0.7164  1
  Ho  Ho10  1  0.7638  0.0354  0.0471  1
  Ho  Ho11  1  0.7665  0.1930  0.3837  1
  Ge  Ge12  1  0.2469  0.1655  0.4908  1
  Ge  Ge13  1  0.2492  0.1173  0.8191  1
  Ge  Ge14  1  0.2541  0.1096  0.1477  1
  Ge  Ge15  1  0.2557  0.1588  0.4348  1
  Ge  Ge16  1  0.2566  0.0713  0.7643  1
  Ge  Ge17  1  0.2589  0.0534  0.0939  1
  Ge  Ge18  1  0.2640  0.6810  0.3969  1
  Ge  Ge19  1  0.2651  0.5365  0.0372  1
  Ge  Ge20  1  0.2656  0.5400  0.7044  1
  Ge  Ge21  1  0.2965  0.2682  0.3330  1
  Ge  Ge22  1  0.7450  0.9043  0.5183  1
  Ge  Ge23  1  0.7476  0.8922  0.8487  1
  Ge  Ge24  1  0.7529  0.8727  0.1767  1
  Ge  Ge25  1  0.7537  0.9334  0.9065  1
  Ge  Ge26  1  0.7539  0.9319  0.5755  1
  Ge  Ge27  1  0.7610  0.8430  0.2322  1
  Ge  Ge28  1  0.7650  0.3175  0.2697  1
  Ge  Ge29  1  0.7684  0.5182  0.9981  1
  Ge  Ge30  1  0.7685  0.4411  0.9421  1
  Ge  Ge31  1  0.7694  0.5175  0.6664  1
  Ge  Ge32  1  0.7704  0.4374  0.6104  1
  Ge  Ge33  1  0.7897  0.7270  0.3336  1
]