data_[Ti24V6Ge9]
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 [R-3m]
_cell_length_a [5.2729]
_cell_length_b [5.2729]
_cell_length_c [27.1198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ti8V2Ge3]
_chemical_formula_sum '[Ti24 V6 Ge9]'
_cell_volume [652.9969]
_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
[
  Ti  Ti0  18  0.0084  0.5042  0.2220  1
  Ti  Ti1  6  0.0000  0.0000  0.2844  1
  V  V2  6  0.0000  0.0000  0.3627  1
  Ge  Ge3  6  0.0000  0.0000  0.1919  1
  Ge  Ge4  3  0.0000  0.0000  0.0000  1
]