data_[Ti2Cu8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.9789]
_cell_length_b [5.9789]
_cell_length_c [12.1417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Ti(CuTe)4]
_chemical_formula_sum '[Ti2 Cu8 Te8]'
_cell_volume [434.0367]
_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  0.0000  1.0
  Cu  Cu1  4  0.0000  0.0000  0.2353  1.0
  Cu  Cu2  4  0.0000  0.5000  0.0000  1.0
  Te  Te3  8  0.2418  0.2418  0.6253  1.0
]