data_[Hf8V12Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.3875]
_cell_length_b [14.2028]
_cell_length_c [7.6889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Hf2V3Ge4]
_chemical_formula_sum '[Hf8 V12 Ge16]'
_cell_volume [588.3307]
_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  8  0.0000  0.1213  0.5807  1
  V  V1  8  0.2500  0.2005  0.2500  1
  V  V2  4  0.0000  0.0000  0.0000  1
  Ge  Ge3  8  0.0000  0.1906  0.9505  1
  Ge  Ge4  8  0.2500  0.0272  0.2500  1
]