data_[Al4V16Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7004]
_cell_length_b [8.2427]
_cell_length_c [4.6523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2V8Ge]
_chemical_formula_sum '[Al4 V16 Ge2]'
_cell_volume [354.6334]
_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
[
  Al  Al0  4  0.1467  0.0000  0.5343  1
  V  V1  8  0.0929  0.2645  0.8480  1
  V  V2  4  0.0706  0.5000  0.2883  1
  V  V3  4  0.2207  0.5000  0.8866  1
  Ge  Ge4  2  0.0000  0.0000  0.0000  1
]