data_[Na8Ti4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3419]
_cell_length_b [8.3297]
_cell_length_c [7.4376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2TiTe3]
_chemical_formula_sum '[Na8 Ti4 Te12]'
_cell_volume [754.6780]
_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
[
  Na  Na0  8  0.1557  0.3216  0.1582  1.0
  Ti  Ti1  4  0.0000  0.0895  0.7500  1.0
  Te  Te2  8  0.1525  0.0491  0.5040  1.0
  Te  Te3  4  0.0000  0.3970  0.7500  1.0
]