data_[La4Yb4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Yb  1.1000  1.7500  1.0840
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5396]
_cell_length_b [5.1367]
_cell_length_c [10.2637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaYbPb]
_chemical_formula_sum '[La4 Yb4 Pb4]'
_cell_volume [397.4981]
_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  0.0485  0.2500  0.6943  1.0
  Yb  Yb1  4  0.1576  0.2500  0.0654  1.0
  Pb  Pb2  4  0.2256  0.2500  0.3828  1.0
]