data_[Ti4Ge4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9295]
_cell_length_b [16.8536]
_cell_length_c [10.9068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TiGeTe4]
_chemical_formula_sum '[Ti4 Ge4 Te16]'
_cell_volume [722.3142]
_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  0.0000  0.3424  0.2745  1.0
  Ge  Ge1  4  0.0000  0.2313  0.4573  1.0
  Te  Te2  4  0.0000  0.0351  0.7379  1.0
  Te  Te3  4  0.0000  0.1098  0.9605  1.0
  Te  Te4  4  0.0000  0.2720  0.7006  1.0
  Te  Te5  4  0.0000  0.3749  0.0013  1.0
]