data_[Tl4Ni2Ge2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.5669]
_cell_length_b [5.5114]
_cell_length_c [5.3392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2NiGeO6]
_chemical_formula_sum '[Tl4 Ni2 Ge2 O12]'
_cell_volume [233.8627]
_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  0.2498  0.1905  0.7260  1.0
  Ni  Ni1  2  0.0000  0.1845  0.0000  1.0
  Ge  Ge2  2  0.0000  0.6839  0.5000  1.0
  O  O3  4  0.0680  0.9281  0.3323  1.0
  O  O4  4  0.0683  0.4418  0.3288  1.0
  O  O5  4  0.2337  0.6750  0.8588  1.0
]