data_[Ti12V12Ge20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.2181]
_cell_length_b [8.3045]
_cell_length_c [15.6380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti3V3Ge5]
_chemical_formula_sum '[Ti12 V12 Ge20]'
_cell_volume [677.6505]
_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
[
  Ti  Ti0  8  0.2500  0.2500  0.2500  1
  Ti  Ti1  4  0.0000  0.0000  0.3485  1
  V  V2  8  0.0000  0.2705  0.0809  1
  V  V3  4  0.2402  0.0000  0.0000  1
  Ge  Ge4  8  0.0000  0.3112  0.3971  1
  Ge  Ge5  4  0.0000  0.0000  0.1615  1
  Ge  Ge6  4  0.0000  0.5000  0.1970  1
  Ge  Ge7  4  0.2437  0.0000  0.5000  1
]