data_[Ti8Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4891]
_cell_length_b [7.8855]
_cell_length_c [9.2471]
_cell_angle_alpha [90.7475]
_cell_angle_beta [104.6259]
_cell_angle_gamma [106.0982]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti2Te3]
_chemical_formula_sum '[Ti8 Te12]'
_cell_volume [505.6404]
_cell_formula_units_Z [4]
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  2  0.1497  0.4383  0.6477  1.0
  Ti  Ti1  2  0.1547  0.8847  0.6643  1.0
  Ti  Ti2  2  0.1693  0.1631  0.1619  1.0
  Ti  Ti3  2  0.4928  0.7585  0.9807  1.0
  Te  Te4  2  0.0944  0.6410  0.8711  1.0
  Te  Te5  2  0.1127  0.1611  0.8512  1.0
  Te  Te6  2  0.2323  0.1828  0.4767  1.0
  Te  Te7  2  0.2429  0.6876  0.4617  1.0
  Te  Te8  2  0.4400  0.9760  0.2044  1.0
  Te  Te9  2  0.4507  0.4932  0.2006  1.0
]