data_[Ti8Tc8Ge20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tc  1.9000  1.3500  0.7417
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [13.3180]
_cell_length_b [6.3178]
_cell_length_c [7.1588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ti2Tc2Ge5]
_chemical_formula_sum '[Ti8 Tc8 Ge20]'
_cell_volume [602.3475]
_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  8  0.1864  0.0000  0.0000  1
  Tc  Tc1  8  0.0000  0.1492  0.3284  1
  Ge  Ge2  16  0.1384  0.1335  0.6408  1
  Ge  Ge3  4  0.0000  0.0000  0.0000  1
]