data_[Hf4Si2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3316]
_cell_length_b [3.8002]
_cell_length_c [7.5078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf2SiGe]
_chemical_formula_sum '[Hf4 Si2 Ge2]'
_cell_volume [142.3021]
_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  2  0.2086  0.2500  0.4232  1.0
  Hf  Hf1  2  0.2750  0.7500  0.0691  1.0
  Si  Si2  2  0.1250  0.2500  0.7920  1.0
  Ge  Ge3  2  0.3783  0.7500  0.7081  1.0
]