data_[Ti2Ag8Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.3990]
_cell_length_b [9.3990]
_cell_length_c [5.8070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [TiAg4Te5]
_chemical_formula_sum '[Ti2 Ag8 Te10]'
_cell_volume [513.0044]
_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  0.0000  0.0000  0.0999  1.0
  Ag  Ag1  8  0.1063  0.2840  0.4770  1.0
  Te  Te2  8  0.0659  0.2823  0.9851  1.0
  Te  Te3  2  0.0000  0.0000  0.5619  1.0
]