data_[Ti9Nb3V24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0301]
_cell_length_b [5.0301]
_cell_length_c [24.6997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ti3NbV8]
_chemical_formula_sum '[Ti9 Nb3 V24]'
_cell_volume [541.2202]
_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  3  0.0000  0.0000  0.5000  1.0
  Ti  Ti1  3  0.0000  0.0000  0.6255  1.0
  Ti  Ti2  3  0.0000  0.0000  0.9998  1.0
  Nb  Nb3  3  0.0000  0.0000  0.1248  1.0
  V  V4  9  0.0008  0.5004  0.5633  1.0
  V  V5  9  0.1667  0.3335  0.3951  1.0
  V  V6  3  0.0000  0.0000  0.3118  1.0
  V  V7  3  0.0000  0.0000  0.8130  1.0
]