data_[Al1V12Ge3]
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 [Pmmm]
_cell_length_a [4.7715]
_cell_length_b [4.7758]
_cell_length_c [9.5560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Al(V4Ge)3]
_chemical_formula_sum '[Al1 V12 Ge3]'
_cell_volume [217.7592]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1.0
  V  V1  4  0.2494  0.5000  0.2496  1.0
  V  V2  2  0.0000  0.2502  0.0000  1.0
  V  V3  2  0.0000  0.2506  0.5000  1.0
  V  V4  2  0.5000  0.0000  0.1249  1.0
  V  V5  2  0.5000  0.0000  0.3752  1.0
  Ge  Ge6  2  0.0000  0.0000  0.2498  1.0
  Ge  Ge7  1  0.5000  0.5000  0.0000  1.0
]