data_[Tl4Cu2Ge2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.1746]
_cell_length_b [5.3907]
_cell_length_c [5.1577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2CuGeO6]
_chemical_formula_sum '[Tl4 Cu2 Ge2 O12]'
_cell_volume [244.9286]
_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  4  0.2479  0.7942  0.2795  1.0
  Cu  Cu1  2  0.0000  0.8142  0.5000  1.0
  Ge  Ge2  2  0.0000  0.3162  0.0000  1.0
  O  O3  4  0.0737  0.0612  0.3132  1.0
  O  O4  4  0.0776  0.5645  0.3342  1.0
  O  O5  4  0.1992  0.3461  0.0666  1.0
]