data_[Ti6Tc4Ge8]
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 [C2/m]
_cell_length_a [13.8289]
_cell_length_b [3.2378]
_cell_length_c [6.7998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti3(TcGe2)2]
_chemical_formula_sum '[Ti6 Tc4 Ge8]'
_cell_volume [286.9993]
_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  4  0.1384  0.0000  0.6099  1
  Ti  Ti1  2  0.0000  0.0000  0.0000  1
  Tc  Tc2  4  0.1670  0.5000  0.9525  1
  Ge  Ge3  4  0.0126  0.5000  0.3192  1
  Ge  Ge4  4  0.1972  0.0000  0.2595  1
]