data_[Tl1Cu2Ge1F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0595]
_cell_length_b [5.1256]
_cell_length_c [7.8862]
_cell_angle_alpha [72.4472]
_cell_angle_beta [78.6455]
_cell_angle_gamma [78.9157]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCu2GeF8]
_chemical_formula_sum '[Tl1 Cu2 Ge1 F8]'
_cell_volume [189.2353]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Cu  Cu1  2  0.4839  0.0773  0.2935  1.0
  Ge  Ge2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1722  0.2679  0.8330  1.0
  F  F4  2  0.1823  0.0222  0.1775  1.0
  F  F5  2  0.2841  0.7432  0.9372  1.0
  F  F6  2  0.3239  0.8463  0.5314  1.0
]