data_[Hf8Cu2Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9183]
_cell_length_b [3.8263]
_cell_length_c [8.9870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf4CuGe4]
_chemical_formula_sum '[Hf8 Cu2 Ge8]'
_cell_volume [318.9568]
_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
[
  Hf  Hf0  4  0.1029  0.0000  0.3800  1
  Hf  Hf1  4  0.2475  0.0000  0.8455  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Ge  Ge3  4  0.0372  0.5000  0.8498  1
  Ge  Ge4  4  0.1260  0.5000  0.6121  1
]