data_[Ti6Te4]
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 [P2_1/m]
_cell_length_a [7.0090]
_cell_length_b [3.5749]
_cell_length_c [9.0010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti3Te2]
_chemical_formula_sum '[Ti6 Te4]'
_cell_volume [224.2094]
_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  2  0.1435  0.2500  0.4825  1
  Ti  Ti1  2  0.1514  0.7500  0.2173  1
  Ti  Ti2  2  0.1683  0.7500  0.7363  1
  Te  Te3  2  0.2219  0.2500  0.9672  1
  Te  Te4  2  0.4556  0.2500  0.3236  1
]