data_[Hf8Ge4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8808]
_cell_length_b [3.4844]
_cell_length_c [6.5728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2GeH3]
_chemical_formula_sum '[Hf8 Ge4 H12]'
_cell_volume [268.8924]
_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
[
  Hf  Hf0  4  0.0297  0.5000  0.2624  1.0
  Hf  Hf1  4  0.2046  0.0000  0.7166  1.0
  Ge  Ge2  4  0.1241  0.0000  0.0469  1.0
  H  H3  4  0.0705  0.0000  0.4288  1.0
  H  H4  4  0.1024  0.5000  0.6480  1.0
  H  H5  4  0.1951  0.5000  0.4744  1.0
]