data_[Tl2Cu2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3258]
_cell_length_b [4.4013]
_cell_length_c [7.2254]
_cell_angle_alpha [88.9037]
_cell_angle_beta [86.7615]
_cell_angle_gamma [82.6823]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCuGe]
_chemical_formula_sum '[Tl2 Cu2 Ge2]'
_cell_volume [136.2167]
_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
[
  Tl  Tl0  2  0.2302  0.2578  0.1493  1
  Cu  Cu1  2  0.2139  0.6762  0.4904  1
  Ge  Ge2  2  0.2967  0.1657  0.6439  1
]