data_[La12Pr4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9129]
_cell_length_b [5.1332]
_cell_length_c [11.5766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PrPb]
_chemical_formula_sum '[La12 Pr4 Pb4]'
_cell_volume [702.9318]
_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  0.0293  0.5000  0.8576  1
  La  La1  4  0.0966  0.0000  0.3898  1
  La  La2  4  0.2192  0.0000  0.7521  1
  Pr  Pr3  4  0.1589  0.0000  0.0586  1
  Pb  Pb4  4  0.1159  0.5000  0.5862  1
]