data_[Ti4Tl6V2Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6060]
_cell_length_b [11.4242]
_cell_length_c [9.4527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Tl3VTe6]
_chemical_formula_sum '[Ti4 Tl6 V2 Te12]'
_cell_volume [693.8764]
_cell_formula_units_Z [2]
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  4  0.0000  0.3337  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1688  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  V  V3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2262  0.1656  0.1841  1.0
  Te  Te5  4  0.2304  0.5000  0.1850  1.0
]