data_[Ti8Sb4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5100]
_cell_length_b [6.8789]
_cell_length_c [6.6533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ti2SbTe]
_chemical_formula_sum '[Ti8 Sb4 Te4]'
_cell_volume [343.7147]
_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  0.1266  0.6889  0.5032  1.0
  Ti  Ti1  4  0.3754  0.1882  0.9940  1.0
  Sb  Sb2  4  0.1225  0.0790  0.7025  1.0
  Te  Te3  4  0.3741  0.5784  0.7948  1.0
]