data_[Ti8Tc4Ge8]
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 [Cmc2_1]
_cell_length_a [4.3437]
_cell_length_b [13.8313]
_cell_length_c [5.2392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ti2TcGe2]
_chemical_formula_sum '[Ti8 Tc4 Ge8]'
_cell_volume [314.7628]
_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  0.0266  0.6925  1
  Ti  Ti1  4  0.0000  0.1705  0.1334  1
  Tc  Tc2  4  0.0000  0.3632  0.9313  1
  Ge  Ge3  4  0.0000  0.2101  0.6385  1
  Ge  Ge4  4  0.0000  0.4408  0.4700  1
]