data_[La12Si2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4995]
_cell_length_b [14.9017]
_cell_length_c [8.7510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La6SiPb2]
_chemical_formula_sum '[La12 Si2 Pb4]'
_cell_volume [586.7509]
_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  0.0000  0.1040  0.1333  1.0
  La  La1  4  0.5000  0.1963  0.7979  1.0
  La  La2  2  0.0000  0.0000  0.7234  1.0
  La  La3  2  0.5000  0.0000  0.4510  1.0
  Si  Si4  2  0.5000  0.0000  0.9613  1.0
  Pb  Pb5  4  0.0000  0.1820  0.5009  1.0
]