data_[La12Ge4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.3159]
_cell_length_b [4.6087]
_cell_length_c [12.6072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [La3GePb2]
_chemical_formula_sum '[La12 Ge4 Pb8]'
_cell_volume [773.6836]
_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  0.0558  0.2500  0.3828  1
  La  La1  4  0.1133  0.7500  0.9530  1
  La  La2  4  0.2394  0.2500  0.7117  1
  Ge  Ge3  4  0.1237  0.2500  0.1292  1
  Pb  Pb4  4  0.0070  0.2500  0.7928  1
  Pb  Pb5  4  0.1922  0.7500  0.4971  1
]