data_[La12Tl8Ge4]
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 [Pnma]
_cell_length_a [13.2077]
_cell_length_b [4.4847]
_cell_length_c [12.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [La3Tl2Ge]
_chemical_formula_sum '[La12 Tl8 Ge4]'
_cell_volume [768.3764]
_cell_formula_units_Z [4]
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  0.0545  0.2500  0.3774  1
  La  La1  4  0.1176  0.7500  0.9560  1
  La  La2  4  0.2335  0.2500  0.7135  1
  Tl  Tl3  4  0.0038  0.2500  0.7995  1
  Tl  Tl4  4  0.1868  0.7500  0.5025  1
  Ge  Ge5  4  0.1227  0.2500  0.1308  1
]