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 [C2/m]
_cell_length_a [14.6317]
_cell_length_b [3.8387]
_cell_length_c [10.5837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Te3]
_chemical_formula_sum '[Ti8 Te12]'
_cell_volume [496.2225]
_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  4  0.1483  0.5000  0.8597  1.0
  Ti  Ti1  4  0.2489  0.5000  0.6372  1.0
  Te  Te2  4  0.0993  0.5000  0.3252  1.0
  Te  Te3  4  0.1190  0.0000  0.6513  1.0
  Te  Te4  4  0.1342  0.0000  0.0378  1.0
]