data_[Li12Pr4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [14.6873]
_cell_length_b [4.7973]
_cell_length_c [9.1371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3PrPb2]
_chemical_formula_sum '[Li12 Pr4 Pb8]'
_cell_volume [570.3355]
_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
[
  Li  Li0  4  0.0531  0.0000  0.3815  1
  Li  Li1  4  0.0946  0.5000  0.6786  1
  Li  Li2  4  0.2201  0.5000  0.5363  1
  Pr  Pr3  4  0.1408  0.0000  0.0249  1
  Pb  Pb4  4  0.0456  0.5000  0.1958  1
  Pb  Pb5  4  0.2082  0.0000  0.7210  1
]