data_[Ti8Te6]
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 [P6_3/m]
_cell_length_a [8.2097]
_cell_length_b [8.2097]
_cell_length_c [5.2370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Ti4Te3]
_chemical_formula_sum '[Ti8 Te6]'
_cell_volume [305.6826]
_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  6  0.1292  0.6544  0.2500  1
  Ti  Ti1  2  0.3333  0.6667  0.7500  1
  Te  Te2  6  0.0531  0.7422  0.7500  1
]