data_[La16Y4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3159]
_cell_length_b [5.9107]
_cell_length_c [6.5774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Y2Pb]
_chemical_formula_sum '[La16 Y4 Pb2]'
_cell_volume [785.9890]
_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  0.0419  0.0000  0.2536  1
  La  La1  4  0.0833  0.5000  0.5915  1
  La  La2  4  0.1586  0.0000  0.7889  1
  La  La3  4  0.1654  0.5000  0.1103  1
  Y  Y4  4  0.2368  0.0000  0.3429  1
  Pb  Pb5  2  0.0000  0.5000  0.0000  1
]