data_[La16Tl4Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5595]
_cell_length_b [5.4105]
_cell_length_c [7.1069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Tl2Ge]
_chemical_formula_sum '[La16 Tl4 Ge2]'
_cell_volume [718.3504]
_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
[
  La  La0  4  0.0007  0.0000  0.2323  1
  La  La1  4  0.0869  0.5000  0.4579  1
  La  La2  4  0.1536  0.5000  0.9860  1
  La  La3  4  0.2131  0.0000  0.3059  1
  Tl  Tl4  4  0.1708  0.0000  0.7320  1
  Ge  Ge5  2  0.0000  0.5000  0.0000  1
]