data_[V36Fe3Ge21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.6485]
_cell_length_b [9.6485]
_cell_length_c [11.0580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [V12FeGe7]
_chemical_formula_sum '[V36 Fe3 Ge21]'
_cell_volume [891.5141]
_cell_formula_units_Z [3]
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
[
  V  V0  18  0.0308  0.4560  0.7030  1
  V  V1  18  0.0660  0.8058  0.4125  1
  Fe  Fe2  3  0.0000  0.0000  0.0000  1
  Ge  Ge3  18  0.0217  0.2029  0.8122  1
  Ge  Ge4  3  0.0000  0.0000  0.5000  1
]