data_[Ti9Tl9V3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2986]
_cell_length_b [7.2986]
_cell_length_c [24.3187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ti3Tl3VSe8]
_chemical_formula_sum '[Ti9 Tl9 V3 Se24]'
_cell_volume [1121.8866]
_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  0.5000  0.5000  1
  Tl  Tl1  9  0.0000  0.5000  0.0000  1
  V  V2  3  0.0000  0.0000  0.5000  1
  Se  Se3  18  0.0003  0.5002  0.2288  1
  Se  Se4  6  0.0000  0.0000  0.2286  1
]