data_[Hf8Ni8Sn4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [10.3721]
_cell_length_b [4.2316]
_cell_length_c [10.3804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Hf2Ni2SnGe]
_chemical_formula_sum '[Hf8 Ni8 Sn4 Ge4]'
_cell_volume [429.4720]
_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  1  0.0041  0.0000  0.2482  1
  Hf  Hf1  1  0.1292  0.5000  0.6191  1
  Hf  Hf2  1  0.2504  0.0000  0.0089  1
  Hf  Hf3  1  0.3712  0.5000  0.3714  1
  Hf  Hf4  1  0.5017  0.0000  0.7506  1
  Hf  Hf5  1  0.6231  0.5000  0.1250  1
  Hf  Hf6  1  0.7439  0.0000  0.4937  1
  Hf  Hf7  1  0.8771  0.5000  0.8850  1
  Ni  Ni8  1  0.0017  0.0000  0.0066  1
  Ni  Ni9  1  0.1290  0.5000  0.3723  1
  Ni  Ni10  1  0.2513  0.0000  0.7449  1
  Ni  Ni11  1  0.3742  0.5000  0.1298  1
  Ni  Ni12  1  0.4930  0.0000  0.4938  1
  Ni  Ni13  1  0.6303  0.5000  0.8811  1
  Ni  Ni14  1  0.7449  0.0000  0.2433  1
  Ni  Ni15  1  0.8747  0.5000  0.6246  1
  Sn  Sn16  1  0.0003  0.0000  0.7501  1
  Sn  Sn17  1  0.3738  0.5000  0.8759  1
  Sn  Sn18  1  0.6250  0.5000  0.6252  1
  Sn  Sn19  1  0.8752  0.5000  0.3731  1
  Ge  Ge20  1  0.1258  0.5000  0.1268  1
  Ge  Ge21  1  0.2515  0.0000  0.4985  1
  Ge  Ge22  1  0.4988  0.0000  0.2499  1
  Ge  Ge23  1  0.7499  0.0000  0.0022  1
]