data_[Ti9V9Sb6]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.1561]
_cell_length_b [7.1561]
_cell_length_c [8.7528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Ti3V3Sb2]
_chemical_formula_sum '[Ti9 V9 Sb6]'
_cell_volume [388.1762]
_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  9  0.0000  0.7480  0.0000  1
  V  V1  9  0.0000  0.2491  0.5000  1
  Sb  Sb2  6  0.0000  0.0000  0.2523  1
]